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"results": [
{
"id": "mp-1445885",
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"structure_string": "Mo1 F5\n1.0\n-1.866148 2.213745 4.704244\n1.866148 -2.213745 4.704244\n1.866148 2.213745 -4.704244\nMo F\n1 5\ndirect\n0.000000 0.000000 0.000000 Mo\n0.765768 0.500000 0.265768 F\n0.234232 0.500000 0.734232 F\n0.201216 0.201216 0.000000 F\n0.798784 0.798784 0.000000 F\n0.500000 0.000000 0.500000 F\n",
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{
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"structure_string": "Ba2 Cu1 Br1 O2\n1.0\n9.946607 -2.172287 0.000000\n9.946607 2.172287 0.000000\n9.472191 0.000000 3.732483\nBa Cu Br O\n2 1 1 2\ndirect\n0.748452 0.748452 0.748452 Ba\n0.251548 0.251548 0.251548 Ba\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n0.438821 0.438821 0.438821 O\n0.561179 0.561179 0.561179 O\n",
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{
"id": "mp-1022729",
"created_at": "2022-09-04T14:48:25.029534Z",
"structure_string": "Na2 H6 Ir1\n1.0\n0.000000 3.692942 3.692942\n3.692942 0.000000 3.692942\n3.692942 3.692942 0.000000\nNa H Ir\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.771629 0.771629 0.228371 H\n0.228371 0.771629 0.228371 H\n0.771629 0.228371 0.228371 H\n0.228371 0.228371 0.771629 H\n0.771629 0.228371 0.771629 H\n0.228371 0.771629 0.771629 H\n0.000000 0.000000 0.000000 Ir\n",
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"density": 4.026482933221044,
"density_atomic": 0.08935010213402472,
"volume": 100.72736107788711,
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"formula_full": "Na2 H6 Ir1",
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"formula_anonymous": "AB2C6",
"energy": -33.66411828,
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"spacegroup": 225
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{
"id": "mp-27979",
"created_at": "2022-09-04T14:46:54.288294Z",
"structure_string": "La2 I6\n1.0\n2.223589 -7.810888 0.000000\n2.223589 7.810888 0.000000\n0.000000 0.000000 10.163181\nLa I\n2 6\ndirect\n0.258611 0.741389 0.250000 La\n0.741389 0.258611 0.750000 La\n0.655023 0.344977 0.433248 I\n0.344977 0.655023 0.566752 I\n0.094606 0.905394 0.750000 I\n0.905394 0.094606 0.250000 I\n0.655023 0.344977 0.066752 I\n0.344977 0.655023 0.933248 I\n",
"nsites": 8,
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"elements": [
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"density": 4.888205240941176,
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"formula_full": "La2 I6",
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"spacegroup": 63
},
{
"id": "mp-1074636",
"created_at": "2022-09-04T14:45:17.178863Z",
"structure_string": "Mg8 Si4\n1.0\n5.593831 0.000000 0.000000\n-1.522952 6.360974 0.000000\n-1.419968 -1.532491 6.876602\nMg Si\n8 4\ndirect\n0.722166 0.556932 0.941528 Mg\n0.131817 0.353233 0.809471 Mg\n0.625360 0.072070 0.886437 Mg\n0.425571 0.797989 0.166055 Mg\n0.373571 0.159706 0.496718 Mg\n0.463458 0.653236 0.544940 Mg\n0.070753 0.807546 0.730692 Mg\n0.907733 0.358842 0.318410 Mg\n0.079995 0.040713 0.086376 Si\n0.975653 0.798076 0.311639 Si\n0.419022 0.375223 0.188578 Si\n0.805371 0.026322 0.519156 Si\n",
"nsites": 12,
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"elements": [
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"density": 2.0819587513038478,
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"volume": 244.68472087194309,
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"formula_full": "Mg8 Si4",
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"updated_at": "2021-11-28T01:36:53.471000Z",
"spacegroup": 1
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{
"id": "mp-753162",
"created_at": "2022-09-04T14:41:55.630642Z",
"structure_string": "Li2 Bi1 O3\n1.0\n2.220572 -4.969172 0.000000\n2.220572 4.969172 0.000000\n0.000000 0.000000 3.463870\nLi Bi O\n2 1 3\ndirect\n0.655519 0.344481 0.500000 Li\n0.344481 0.655519 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.147539 0.852461 0.500000 O\n0.852461 0.147539 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
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"density": 5.883753433480088,
"density_atomic": 0.07848935884908001,
"volume": 76.4434833967347,
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"formula_full": "Li2 Bi1 O3",
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"formula_anonymous": "AB2C3",
"energy": -33.66293515,
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"updated_at": "2021-11-28T01:35:33.386000Z",
"spacegroup": 65
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{
"id": "mp-1223673",
"created_at": "2022-09-04T14:46:11.598902Z",
"structure_string": "In1 Sn3 Se4\n1.0\n4.106149 0.000000 0.000000\n0.000000 4.581003 0.000000\n0.000000 0.298070 11.760228\nIn Sn Se\n1 3 4\ndirect\n0.000000 0.603103 0.381582 In\n0.000000 0.894676 0.882675 Sn\n0.500000 0.400493 0.615270 Sn\n0.500000 0.103311 0.118291 Sn\n0.000000 0.506657 0.146242 Se\n0.000000 0.989585 0.649134 Se\n0.500000 0.487411 0.850395 Se\n0.500000 0.014765 0.356411 Se\n",
"nsites": 8,
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"density": 5.906032092551364,
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"volume": 221.21319198041905,
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"formula_full": "In1 Sn3 Se4",
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{
"id": "mp-1027782",
"created_at": "2022-09-04T14:42:19.436147Z",
"structure_string": "Mg14 Fe1 B1\n1.0\n6.173829 -0.000000 0.000000\n-3.086914 5.346692 -0.000000\n0.000000 -0.000000 9.836609\nMg Fe B\n14 1 1\ndirect\n0.168849 0.834424 0.125000 Mg\n0.166172 0.833086 0.625000 Mg\n0.665576 0.331151 0.125000 Mg\n0.666914 0.333828 0.625000 Mg\n0.665576 0.834424 0.125000 Mg\n0.666914 0.833086 0.625000 Mg\n0.325217 0.174783 0.377269 Mg\n0.325217 0.174783 0.872731 Mg\n0.325217 0.650435 0.377269 Mg\n0.325217 0.650435 0.872731 Mg\n0.849565 0.174783 0.377269 Mg\n0.849565 0.174783 0.872731 Mg\n0.833333 0.666667 0.371747 Mg\n0.833333 0.666667 0.878253 Mg\n0.166667 0.333333 0.125000 Fe\n0.166667 0.333333 0.625000 B\n",
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"density": 2.081034905361707,
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{
"id": "mp-1220000",
"created_at": "2022-09-04T14:40:05.766818Z",
"structure_string": "Pr2 Cu1 Sn4\n1.0\n0.000000 0.000000 4.522939\n4.587132 0.000000 0.000000\n2.293566 8.915567 0.000000\nPr Cu Sn\n2 1 4\ndirect\n0.250000 0.897452 0.205095 Pr\n0.750000 0.102811 0.794377 Pr\n0.250000 0.681026 0.637949 Cu\n0.250000 0.259683 0.480635 Sn\n0.750000 0.759217 0.481565 Sn\n0.250000 0.539386 0.921227 Sn\n0.750000 0.433424 0.133152 Sn\n",
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{
"id": "mp-861666",
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"structure_string": "Li1 Ru2 W1\n1.0\n0.000000 3.027322 3.027322\n3.027322 0.000000 3.027322\n3.027322 3.027322 0.000000\nLi Ru W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n0.000000 0.000000 0.000000 W\n",
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{
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{
"id": "mp-1094380",
"created_at": "2022-09-04T14:40:16.986311Z",
"structure_string": "Mg2 Ti4\n1.0\n1.439658 -7.748361 0.000000\n1.439658 7.748361 0.000000\n0.000000 0.000000 4.979529\nMg Ti\n2 4\ndirect\n0.109136 0.890864 0.500000 Mg\n0.777482 0.222518 0.500000 Mg\n0.997308 0.002692 0.000000 Ti\n0.337361 0.662639 0.000000 Ti\n0.665147 0.334853 0.000000 Ti\n0.446898 0.553102 0.500000 Ti\n",
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]
}