²é¿´: 2414  |  »Ø¸´: 2
¡¾ÐüÉͽð±Ò¡¿»Ø´ð±¾ÌûÎÊÌ⣬×÷Õß1451091346½«ÔùËÍÄú 20 ¸ö½ð±Ò

1451091346

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] ÇóÖúºÚÁ×¾§ÌåCIFÎļþ ÒÑÓÐ2È˲ÎÓë

ÇóÖúºÚÁ×¾§ÌåCIFÎļþ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

ÿһ´ÎµÄÍ»ÆÆ¶¼Êdzɳ¤£¬ÓÃÿһ´ÎµÄÈ«Á¦ÒÔ¸°È¥ÊÕ»ñÄÜÁ¦µÄÌáÉý£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÂþÌìÆ®Ñ©

°æÖ÷ (ÖªÃû×÷¼Ò)

ÈÏÕæ×öÊ£¬Ì¤Êµ×öÈË

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
P
1.0
        3.3099999428         0.0000000000         0.0000000000
        0.0000000000         4.3800001144         0.0000000000
        0.0000000000         0.0000000000        10.5000000000
    P
    8
Direct
     0.000000000         0.090000004         0.097999997
     0.000000000         0.909999967         0.902000010
     0.000000000         0.590000033         0.402000010
     0.000000000         0.409999996         0.597999990
     0.500000000         0.090000004         0.597999990
     0.500000000         0.909999967         0.402000010
     0.500000000         0.590000033         0.902000010
     0.500000000         0.409999996         0.097999997
http://blog.sciencenet.cn/u/pfliu89
2Â¥2021-05-28 14:26:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wangyikeco

ľ³æ (ÕýʽдÊÖ)

newbie

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
# generated using pymatgen
data_P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30611000
_cell_length_b   11.22110200
_cell_length_c   4.55241800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P
_chemical_formula_sum   P8
_cell_volume   168.88650222
_cell_formula_units_Z   8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  P  P0  1  0.00000000  0.59449400  0.91348300  1
  P  P1  1  0.50000000  0.90550600  0.08651700  1
  P  P2  1  0.00000000  0.90550600  0.41348300  1
  P  P3  1  0.50000000  0.59449400  0.58651700  1
  P  P4  1  0.50000000  0.09449400  0.91348300  1
  P  P5  1  0.00000000  0.40550600  0.08651700  1
  P  P6  1  0.50000000  0.40550600  0.41348300  1
  P  P7  1  0.00000000  0.09449400  0.58651700  1
3Â¥2021-05-29 00:10:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ 1451091346 µÄÖ÷Ìâ¸üÐÂ
²»Ó¦Öú È·¶¨»ØÌûÓ¦Öú (×¢Ò⣺ӦÖú²Å¿ÉÄܱ»½±Àø£¬µ«²»ÔÊÐí¹àË®£¬±ØÐëÌîд15¸ö×Ö·ûÒÔÉÏ)
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Öйúº£Ñó´óѧ£¬ÉúÎïѧ£¬301·Ö£¬Çóµ÷¼Á +4 1ËïÎò¿Õ 2026-03-17 4/200 2026-03-18 17:59 by fivewind
[¿¼ÑÐ] 344Çóµ÷¼Á +5 knight344 2026-03-16 6/300 2026-03-18 15:17 by knight344
[¿¼ÑÐ] 085601ר˶£¬×Ü·Ö342Çóµ÷¼Á£¬µØÇø²»ÏÞ +5 share_joy 2026-03-16 5/250 2026-03-18 14:48 by haxia
[¿¼ÑÐ] 0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑо­Àú ÓжþÇøÎÄÕ +7 rare12345 2026-03-18 7/350 2026-03-18 14:31 by laoshidan
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ìר˶Çóµ÷¼Á +6 Ľº®mio 2026-03-16 6/300 2026-03-18 14:26 by 007_lilei
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +3 ÄÝÄÝninicgb 2026-03-17 3/150 2026-03-18 10:29 by macy2011
[¿¼ÑÐ] 307Çóµ÷¼Á +3 ÀäóÏ123 2026-03-17 3/150 2026-03-18 09:55 by macy2011
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +6 Ϊѧ666 2026-03-16 6/300 2026-03-17 20:15 by peike
[¿¼ÑÐ] 268Çóµ÷¼Á +8 Ò»¶¨ÓÐѧÉÏ- 2026-03-14 9/450 2026-03-17 17:47 by laoshidan
[¿¼ÑÐ] 326Çóµ÷¼Á +5 Éϰ¶µÄСÆÏ 2026-03-15 6/300 2026-03-17 17:26 by ruiyingmiao
[¿¼ÑÐ] ¿¼Ñл¯Ñ§Ñ§Ë¶µ÷¼Á£¬Ò»Ö¾Ô¸985 +4 ÕÅvvvv 2026-03-15 6/300 2026-03-17 17:15 by ruiyingmiao
[¿¼ÑÐ] 332Çóµ÷¼Á +6 Zz°æ 2026-03-13 6/300 2026-03-17 17:03 by ruiyingmiao
[¿¼ÑÐ] ¡¾0856¡¿»¯Ñ§¹¤³Ì£¨085602£©313 ·Ö£¬±¾¿ÆÑ§¿ÆÆÀ¹ÀAÀàԺУ»¯Ñ§¹¤³ÌÓ빤ÒÕ£¬³ÏÇóµ÷¼Á +7 СÁõ¿ì¿ìÉϰ¶ 2026-03-11 8/400 2026-03-17 16:57 by ruiyingmiao
[»ù½ðÉêÇë] ¹ú×Ô¿ÆÃæÉÏ»ù½ð×ÖÌå +6 iwuli 2026-03-12 7/350 2026-03-16 21:18 by sculhf
[¿¼ÑÐ] 304Çóµ÷¼Á +4 ahbd 2026-03-14 4/200 2026-03-16 16:48 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 085600µ÷¼Á +5 ÑúÑú123sun 2026-03-12 6/300 2026-03-16 15:58 by ÑúÑú123sun
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] Öпƴó²ÄÁÏÓ뻯¹¤319Çóµ÷¼Á +3 ÃÏöβÄÁÏ 2026-03-14 3/150 2026-03-14 20:10 by ms629
[¿¼ÑÐ] 304Çóµ÷¼Á +6 Mochaaaa 2026-03-12 7/350 2026-03-13 22:18 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ¹¤¿Æ²ÄÁÏ085601 279Çóµ÷¼Á +8 À§ÓÚÐdz¿ 2026-03-12 10/500 2026-03-13 15:42 by ms629
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û