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{
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"results": [
{
"id": "mp-777181",
"created_at": "2022-09-04T14:40:12.407328Z",
"structure_string": "Ti4 Nb2 P6 O24\n1.0\n7.504765 -4.360113 0.000000\n7.504765 4.360113 0.000000\n4.971630 0.000000 7.114421\nTi Nb P O\n4 2 6 24\ndirect\n0.143629 0.143629 0.143629 Ti\n0.356371 0.356371 0.356371 Ti\n0.643629 0.643629 0.643629 Ti\n0.856371 0.856371 0.856371 Ti\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.540447 0.250000 0.959553 P\n0.959553 0.540447 0.250000 P\n0.250000 0.959553 0.540447 P\n0.750000 0.040447 0.459553 P\n0.040447 0.459553 0.750000 P\n0.459553 0.750000 0.040447 P\n0.310392 0.116624 0.502728 O\n0.502728 0.310392 0.116624 O\n0.912738 0.058855 0.264954 O\n0.116624 0.502728 0.310392 O\n0.810392 0.002728 0.616624 O\n0.587262 0.235046 0.441145 O\n0.058855 0.264954 0.912738 O\n0.235046 0.441145 0.587262 O\n0.383376 0.189608 0.997272 O\n0.441145 0.587262 0.235046 O\n0.735046 0.087262 0.941145 O\n0.997272 0.383376 0.189608 O\n0.002728 0.616624 0.810392 O\n0.264954 0.912738 0.058855 O\n0.558855 0.412738 0.764954 O\n0.616624 0.810392 0.002728 O\n0.764954 0.558855 0.412738 O\n0.941145 0.735046 0.087262 O\n0.412738 0.764954 0.558855 O\n0.189608 0.997272 0.383376 O\n0.883376 0.497272 0.689608 O\n0.087262 0.941145 0.735046 O\n0.497272 0.689608 0.883376 O\n0.689608 0.883376 0.497272 O\n",
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],
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"formula_full": "Ti4 Nb2 P6 O24",
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"spacegroup": 167
},
{
"id": "mp-1078904",
"created_at": "2022-09-04T14:40:19.555229Z",
"structure_string": "Sb4 Te6\n1.0\n4.249976 5.101603 0.000000\n-4.249976 5.101603 0.000000\n0.000000 2.029211 7.378188\nSb Te\n4 6\ndirect\n0.828540 0.575450 0.837537 Sb\n0.424550 0.171460 0.662463 Sb\n0.171460 0.424550 0.162463 Sb\n0.575450 0.828540 0.337537 Sb\n0.770811 0.980906 0.958057 Te\n0.019094 0.229189 0.541943 Te\n0.229189 0.019094 0.041943 Te\n0.980906 0.770811 0.458057 Te\n0.601652 0.398348 0.250000 Te\n0.398348 0.601652 0.750000 Te\n",
"nsites": 10,
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"density": 6.501334680120627,
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"volume": 319.9431745524643,
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"formula_full": "Sb4 Te6",
"formula_reduced": "Sb2Te3",
"formula_anonymous": "A2B3",
"energy": -37.88480725,
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},
{
"id": "mp-1073134",
"created_at": "2022-09-04T14:40:12.358406Z",
"structure_string": "Mg8 Si12\n1.0\n3.793340 0.000000 0.000000\n-0.957090 5.867899 0.000000\n-0.625491 -1.041384 16.866731\nMg Si\n8 12\ndirect\n0.465546 0.897905 0.785282 Mg\n0.200306 0.222881 0.194681 Mg\n0.595331 0.197031 0.942651 Mg\n0.046760 0.908759 0.053331 Mg\n0.085335 0.664297 0.291469 Mg\n0.552985 0.441127 0.713087 Mg\n0.967475 0.430299 0.458560 Mg\n0.432629 0.124496 0.554720 Mg\n0.453143 0.694191 0.946256 Si\n0.224372 0.431098 0.048829 Si\n0.918337 0.609405 0.857857 Si\n0.762476 0.521020 0.135681 Si\n0.783801 0.052230 0.326155 Si\n0.967599 0.114539 0.681200 Si\n0.877616 0.891814 0.455532 Si\n0.550585 0.652004 0.556202 Si\n0.369293 0.306619 0.344888 Si\n0.082197 0.734324 0.643365 Si\n0.055040 0.227801 0.822532 Si\n0.609071 0.878143 0.187832 Si\n",
"nsites": 20,
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"elements": [
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"formula_full": "Mg8 Si12",
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},
{
"id": "mp-1045607",
"created_at": "2022-09-04T14:40:12.420483Z",
"structure_string": "Al1 Cu3 Ag4 O12\n1.0\n-3.853352 3.853352 3.853352\n3.853352 -3.853352 3.853352\n3.853352 3.853352 -3.853352\nAl Cu Ag O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.308986 0.153624 0.844638 O\n0.691014 0.846376 0.155362 O\n0.691014 0.535652 0.844638 O\n0.464348 0.155362 0.308986 O\n0.155362 0.308986 0.464348 O\n0.844638 0.308986 0.153624 O\n0.846376 0.155362 0.691014 O\n0.844638 0.691014 0.535652 O\n0.308986 0.464348 0.155362 O\n0.535652 0.844638 0.691014 O\n0.155362 0.691014 0.846376 O\n0.153624 0.844638 0.308986 O\n",
"nsites": 20,
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"elements": [
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"Cu",
"Ag",
"O"
],
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"density": 6.1025734587077105,
"density_atomic": 0.08738843356678493,
"volume": 228.8632394894158,
"volume_molar": 6.891233214974262,
"formula_full": "Al1 Cu3 Ag4 O12",
"formula_reduced": "AlCu3(AgO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -98.32611648,
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"updated_at": "2021-11-28T01:34:48.303000Z",
"spacegroup": 204
},
{
"id": "mp-984791",
"created_at": "2022-09-04T14:40:12.423139Z",
"structure_string": "Ca1 Tm1 Cd2\n1.0\n0.000000 3.760219 3.760219\n3.760219 0.000000 3.760219\n3.760219 3.760219 0.000000\nCa Tm Cd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tm\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
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"elements": [
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"Cd"
],
"chemical_system": "Ca-Cd-Tm",
"density": 6.774909192522087,
"density_atomic": 0.037617556077641154,
"volume": 106.33332988842119,
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"formula_full": "Ca1 Tm1 Cd2",
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"formula_anonymous": "ABC2",
"energy": -9.62312069,
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"updated_at": "2021-11-28T01:34:48.909000Z",
"spacegroup": 225
},
{
"id": "mp-1225766",
"created_at": "2022-09-04T14:40:19.542131Z",
"structure_string": "Dy3 Th3 Fe18\n1.0\n-2.572847 -4.456301 0.000000\n2.572847 -4.456301 0.000000\n0.000000 2.970868 16.575764\nDy Th Fe\n3 3 18\ndirect\n0.428834 0.428834 0.286502 Dy\n0.929477 0.929477 0.788432 Dy\n0.071116 0.071116 0.213349 Dy\n0.570819 0.570819 0.712457 Th\n0.000051 0.000051 0.000152 Th\n0.499307 0.499307 0.497921 Th\n0.459464 0.958488 0.376441 Fe\n0.959389 0.458884 0.877157 Fe\n0.958488 0.958488 0.376441 Fe\n0.458884 0.458884 0.877157 Fe\n0.958488 0.459464 0.376441 Fe\n0.458884 0.959389 0.877157 Fe\n0.040476 0.541497 0.123470 Fe\n0.541339 0.040881 0.623102 Fe\n0.541497 0.541497 0.123470 Fe\n0.040881 0.040881 0.623102 Fe\n0.541497 0.040476 0.123470 Fe\n0.040881 0.541339 0.623102 Fe\n0.333402 0.333402 0.000207 Fe\n0.833666 0.833666 0.500998 Fe\n0.166469 0.166469 0.499408 Fe\n0.666334 0.666334 0.999001 Fe\n0.750020 0.750020 0.250059 Fe\n0.250334 0.250334 0.751002 Fe\n",
"nsites": 24,
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],
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"density": 9.56242290037736,
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"spacegroup": 160
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{
"id": "mp-16932",
"created_at": "2022-09-04T14:40:12.384759Z",
"structure_string": "Th2 Co17\n1.0\n4.724459 -4.185425 0.000000\n4.724459 4.185425 0.000000\n1.016567 0.000000 6.229357\nTh Co\n2 17\ndirect\n0.656490 0.656490 0.656490 Th\n0.343510 0.343510 0.343510 Th\n0.345234 0.345234 0.852629 Co\n0.852629 0.345234 0.345234 Co\n0.096951 0.096951 0.096951 Co\n0.903049 0.903049 0.903049 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.715380 0.284620 0.000000 Co\n0.284620 0.000000 0.715380 Co\n0.000000 0.715380 0.284620 Co\n0.284620 0.715380 0.000000 Co\n0.715380 0.000000 0.284620 Co\n0.000000 0.284620 0.715380 Co\n0.147371 0.654766 0.654766 Co\n0.654766 0.654766 0.147371 Co\n0.654766 0.147371 0.654766 Co\n0.345234 0.852629 0.345234 Co\n",
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{
"id": "mp-1246553",
"created_at": "2022-09-04T14:40:12.397069Z",
"structure_string": "Li4 Ge4 N4\n1.0\n5.533632 0.000000 0.000000\n0.000000 4.132263 0.000000\n0.000000 0.000000 6.923763\nLi Ge N\n4 4 4\ndirect\n0.577313 0.250000 0.912287 Li\n0.077313 0.250000 0.587713 Li\n0.422687 0.750000 0.087713 Li\n0.922687 0.750000 0.412287 Li\n0.542465 0.250000 0.392140 Ge\n0.042465 0.250000 0.107860 Ge\n0.457535 0.750000 0.607860 Ge\n0.957535 0.750000 0.892140 Ge\n0.876904 0.250000 0.344716 N\n0.376904 0.250000 0.155284 N\n0.123096 0.750000 0.655284 N\n0.623096 0.750000 0.844716 N\n",
"nsites": 12,
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"elements": [
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],
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"density_atomic": 0.07579504649736142,
"volume": 158.32169191185528,
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"formula_full": "Li4 Ge4 N4",
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"formula_anonymous": "ABC",
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{
"id": "mp-863443",
"created_at": "2022-09-04T14:40:12.404217Z",
"structure_string": "Li8 Fe12 Sn4 O32\n1.0\n8.521504 0.000000 0.000000\n0.000000 8.531404 0.000000\n0.000000 0.039372 8.537668\nLi Fe Sn O\n8 12 4 32\ndirect\n0.124843 0.379091 0.125515 Li\n0.252815 0.251211 0.501254 Li\n0.750107 0.251109 0.999390 Li\n0.876647 0.124262 0.629019 Li\n0.376647 0.875738 0.370981 Li\n0.250107 0.748891 0.000610 Li\n0.752815 0.748789 0.498746 Li\n0.624843 0.620909 0.874485 Li\n0.380215 0.386012 0.872988 Fe\n0.621311 0.380801 0.632546 Fe\n0.884681 0.375228 0.369378 Fe\n0.113573 0.123385 0.867942 Fe\n0.376212 0.119041 0.137313 Fe\n0.618286 0.112916 0.374102 Fe\n0.118286 0.887084 0.625898 Fe\n0.876212 0.880959 0.862687 Fe\n0.613573 0.876615 0.132058 Fe\n0.384681 0.624772 0.630622 Fe\n0.121311 0.619199 0.367454 Fe\n0.880215 0.613988 0.127012 Fe\n0.497887 0.497809 0.253414 Sn\n0.497763 0.005250 0.753503 Sn\n0.997763 0.994750 0.246497 Sn\n0.997887 0.502191 0.746586 Sn\n0.873442 0.391688 0.139315 O\n0.114588 0.401976 0.377141 O\n0.396308 0.383606 0.634386 O\n0.611764 0.373196 0.850188 O\n0.853183 0.374522 0.614493 O\n0.636929 0.366278 0.394180 O\n0.374362 0.363290 0.109880 O\n0.136447 0.363707 0.874344 O\n0.867178 0.138733 0.375028 O\n0.625998 0.145492 0.614288 O\n0.361078 0.141298 0.888672 O\n0.137883 0.126334 0.113960 O\n0.386667 0.126327 0.360841 O\n0.613941 0.115778 0.136700 O\n0.889495 0.110474 0.878580 O\n0.126211 0.113290 0.638471 O\n0.626211 0.886710 0.361529 O\n0.389495 0.889526 0.121420 O\n0.113941 0.884222 0.863300 O\n0.886667 0.873673 0.639159 O\n0.637883 0.873666 0.886040 O\n0.861078 0.858702 0.111328 O\n0.125998 0.854508 0.385712 O\n0.367178 0.861267 0.624972 O\n0.636447 0.636293 0.125656 O\n0.874362 0.636710 0.890120 O\n0.136929 0.633722 0.605820 O\n0.353183 0.625478 0.385507 O\n0.111764 0.626804 0.149812 O\n0.896308 0.616394 0.365614 O\n0.614588 0.598024 0.622859 O\n0.373442 0.608312 0.860685 O\n",
"nsites": 56,
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"elements": [
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"volume": 620.6918215639979,
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"formula_full": "Li8 Fe12 Sn4 O32",
"formula_reduced": "Li2Fe3SnO8",
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"spacegroup": 4
},
{
"id": "mp-11556",
"created_at": "2022-09-04T14:40:13.085178Z",
"structure_string": "Pu2 Ru4\n1.0\n0.000000 3.689523 3.689523\n3.689523 0.000000 3.689523\n3.689523 3.689523 0.000000\nPu Ru\n2 4\ndirect\n0.750000 0.750000 0.750000 Pu\n0.500000 0.500000 0.500000 Pu\n0.125000 0.125000 0.625000 Ru\n0.125000 0.625000 0.125000 Ru\n0.125000 0.125000 0.125000 Ru\n0.625000 0.125000 0.125000 Ru\n",
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"elements": [
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"updated_at": "2021-11-28T01:34:49.898000Z",
"spacegroup": 227
},
{
"id": "mp-1189602",
"created_at": "2022-09-04T14:40:12.591720Z",
"structure_string": "Ce10 Ga4 Ge2\n1.0\n-8.008608 0.000000 0.000000\n0.000000 8.008608 0.000000\n4.004304 -4.004304 -6.224124\nCe Ga Ge\n10 4 2\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ce\n0.984394 0.836075 0.320469 Ce\n0.336075 0.484394 0.320469 Ce\n0.836075 0.336075 0.320469 Ce\n0.484394 0.984394 0.320469 Ce\n0.015606 0.163925 0.679531 Ce\n0.663925 0.515606 0.679531 Ce\n0.163925 0.663925 0.679531 Ce\n0.515606 0.015606 0.679531 Ce\n0.620980 0.879020 0.000000 Ga\n0.379020 0.120980 0.000000 Ga\n0.879020 0.379020 0.000000 Ga\n0.120980 0.620980 0.000000 Ga\n0.750000 0.750000 0.500000 Ge\n0.250000 0.250000 0.500000 Ge\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Ga",
"Ge"
],
"chemical_system": "Ce-Ga-Ge",
"density": 7.592742219339479,
"density_atomic": 0.04007999633167759,
"volume": 399.20163334332085,
"volume_molar": 15.025302672596174,
"formula_full": "Ce10 Ga4 Ge2",
"formula_reduced": "Ce5Ga2Ge",
"formula_anonymous": "AB2C5",
"energy": -88.10667976,
"energy_per_atom": -5.506667485,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -88.10667976,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 7.5461661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.930000Z",
"spacegroup": 140
},
{
"id": "mp-1079702",
"created_at": "2022-09-04T14:40:12.593793Z",
"structure_string": "Cr3 Ga1 P4\n1.0\n5.441136 0.000000 0.000000\n0.000000 5.441136 0.000000\n0.000000 0.000000 5.441136\nCr Ga P\n3 1 4\ndirect\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Ga\n0.745963 0.745963 0.254037 P\n0.745963 0.254037 0.745963 P\n0.254037 0.745963 0.745963 P\n0.254037 0.254037 0.254037 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ga",
"P"
],
"chemical_system": "Cr-Ga-P",
"density": 3.6037915598329415,
"density_atomic": 0.04966166129343593,
"volume": 161.09006005116075,
"volume_molar": 12.126337708311787,
"formula_full": "Cr3 Ga1 P4",
"formula_reduced": "Cr3GaP4",
"formula_anonymous": "AB3C4",
"energy": -53.50941338,
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"updated_at": "2021-11-28T01:34:56.314000Z",
"spacegroup": 215
}
]
}