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{
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{
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"structure_string": "Ba4 Nb2 Fe2 O12\n1.0\n-4.107862 -4.107606 -0.000054\n-0.000065 4.107617 -4.107913\n4.107972 -8.215375 -4.107989\nBa Nb Fe O\n4 2 2 12\ndirect\n0.624998 0.374994 0.124993 Ba\n0.125000 0.874998 0.624991 Ba\n0.874993 0.125003 0.375012 Ba\n0.375006 0.625004 0.874998 Ba\n0.249996 0.750004 0.250017 Nb\n0.750014 0.249999 0.749984 Nb\n0.500012 0.499992 0.499995 Fe\n0.000009 0.000012 0.000000 Fe\n0.126395 0.379163 0.126381 O\n0.626397 0.879173 0.626389 O\n0.373609 0.626392 0.373620 O\n0.873615 0.126390 0.873630 O\n0.620833 0.873601 0.126380 O\n0.120822 0.373601 0.626390 O\n0.373594 0.120823 0.373612 O\n0.873602 0.620834 0.873621 O\n0.126386 0.873612 0.126373 O\n0.626385 0.373610 0.626380 O\n0.879173 0.626398 0.373613 O\n0.379160 0.126397 0.873623 O\n",
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"formula_full": "Ba4 Nb2 Fe2 O12",
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{
"id": "mp-1060281",
"created_at": "2022-09-04T14:46:38.475667Z",
"structure_string": "B1 N1\n1.0\n-2.390410 2.390410 1.309911\n2.390410 -2.390410 1.309911\n2.390410 2.390410 -1.309911\nB N\n1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:46:41.676714Z",
"structure_string": "Mg4 Fe4 Si4 O16\n1.0\n-4.818199 -0.000005 -0.000009\n-0.000012 0.000005 -6.145307\n-0.000010 -10.516278 0.000009\nMg Fe Si O\n4 4 4 16\ndirect\n0.499997 0.999999 0.500000 Mg\n0.999997 0.500001 0.999999 Mg\n0.499997 0.500001 0.499998 Mg\n0.999999 0.999998 0.999999 Mg\n0.512056 0.249994 0.778267 Fe\n0.987997 0.250011 0.278240 Fe\n0.487972 0.749990 0.221766 Fe\n0.012035 0.750008 0.721751 Fe\n0.926936 0.749998 0.406522 Si\n0.573059 0.749997 0.906522 Si\n0.073060 0.249996 0.593480 Si\n0.426935 0.249999 0.093480 Si\n0.265475 0.750000 0.412932 O\n0.234520 0.750000 0.912932 O\n0.734518 0.250001 0.587067 O\n0.765476 0.249999 0.087067 O\n0.727551 0.750000 0.049092 O\n0.772443 0.750000 0.549092 O\n0.272448 0.249999 0.950904 O\n0.227547 0.250001 0.450904 O\n0.782539 0.965172 0.337972 O\n0.717453 0.534830 0.837973 O\n0.217465 0.465173 0.662025 O\n0.282532 0.034831 0.162023 O\n0.217451 0.034817 0.662022 O\n0.282543 0.465186 0.162023 O\n0.782553 0.534814 0.337975 O\n0.717444 0.965189 0.837972 O\n",
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"formula_full": "Mg4 Fe4 Si4 O16",
"formula_reduced": "MgFeSiO4",
"formula_anonymous": "ABCD4",
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{
"id": "mp-7607",
"created_at": "2022-09-04T14:46:40.149050Z",
"structure_string": "Ti2 Hg2 O6\n1.0\n4.867489 -2.723266 0.000000\n4.867489 2.723266 0.000000\n3.343873 0.000000 4.463982\nTi Hg O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.250000 0.667968 0.832032 O\n0.832032 0.250000 0.667968 O\n0.667968 0.832032 0.250000 O\n0.750000 0.332032 0.167968 O\n0.332032 0.167968 0.750000 O\n0.167968 0.750000 0.332032 O\n",
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"formula_full": "Ti2 Hg2 O6",
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"spacegroup": 167
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{
"id": "mp-1520998",
"created_at": "2022-09-04T14:46:28.368296Z",
"structure_string": "Sr1 Ca1 Zr1 Ti1 O6\n1.0\n0.000000 -4.047436 -4.047436\n4.047436 0.000000 -4.047436\n4.047436 -4.047436 0.000000\nSr Ca Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.757859 0.242141 0.242141 O\n0.242141 0.757859 0.757859 O\n0.757859 0.242141 0.757859 O\n0.242141 0.757859 0.242141 O\n0.757859 0.757859 0.242141 O\n0.242141 0.242141 0.757859 O\n",
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{
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{
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"structure_string": "Li2 In1 Bi1\n1.0\n0.000000 3.553114 3.553114\n3.553114 0.000000 3.553114\n3.553114 3.553114 0.000000\nLi In Bi\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Bi\n",
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{
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