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{
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"results": [
{
"id": "mp-1021209",
"created_at": "2022-09-04T14:40:28.797788Z",
"structure_string": "Na2 La2 Mg12\n1.0\n5.319162 0.000000 0.000000\n0.000000 6.775489 0.000000\n0.000000 0.000000 11.844058\nNa La Mg\n2 2 12\ndirect\n0.500000 0.500000 0.159572 Na\n0.500000 0.000000 0.659572 Na\n0.000000 0.500000 0.335794 La\n0.000000 0.000000 0.835794 La\n0.000000 0.749458 0.080660 Mg\n0.000000 0.250542 0.080660 Mg\n0.000000 0.000000 0.337600 Mg\n0.500000 0.244917 0.419434 Mg\n0.500000 0.755083 0.419434 Mg\n0.500000 0.000000 0.166845 Mg\n0.000000 0.249458 0.580660 Mg\n0.000000 0.750542 0.580660 Mg\n0.000000 0.500000 0.837600 Mg\n0.500000 0.744917 0.919434 Mg\n0.500000 0.255083 0.919434 Mg\n0.500000 0.500000 0.666845 Mg\n",
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{
"id": "mp-1225477",
"created_at": "2022-09-04T14:39:46.283748Z",
"structure_string": "Er20 Ni2 Sb10\n1.0\n7.895659 0.000000 0.000000\n0.000000 9.165790 0.000000\n0.000000 0.000000 11.796333\nEr Ni Sb\n20 2 10\ndirect\n0.430964 0.182680 0.564605 Er\n0.569036 0.817320 0.064605 Er\n0.066354 0.719816 0.434581 Er\n0.933646 0.280184 0.934581 Er\n0.066354 0.280184 0.434581 Er\n0.933646 0.719816 0.934581 Er\n0.430964 0.817320 0.564605 Er\n0.569036 0.182680 0.064605 Er\n0.574363 0.500000 0.774581 Er\n0.425637 0.500000 0.274581 Er\n0.911604 0.000000 0.206623 Er\n0.088396 0.000000 0.706623 Er\n0.268338 0.500000 0.995060 Er\n0.731662 0.500000 0.495060 Er\n0.204750 0.000000 0.999996 Er\n0.795250 0.000000 0.499996 Er\n0.092730 0.500000 0.714605 Er\n0.907270 0.500000 0.214605 Er\n0.381371 0.000000 0.302323 Er\n0.618629 0.000000 0.802323 Er\n0.163907 0.000000 0.484231 Ni\n0.836093 0.000000 0.984231 Ni\n0.814780 0.740746 0.673011 Sb\n0.185220 0.259254 0.173011 Sb\n0.682234 0.242170 0.326271 Sb\n0.317766 0.757830 0.826271 Sb\n0.682234 0.757830 0.326271 Sb\n0.317766 0.242170 0.826271 Sb\n0.814780 0.259254 0.673011 Sb\n0.185220 0.740746 0.173011 Sb\n0.343119 0.500000 0.525645 Sb\n0.656881 0.500000 0.025645 Sb\n",
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"formula_full": "Er20 Ni2 Sb10",
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"updated_at": "2021-11-28T01:34:25.411000Z",
"spacegroup": 26
},
{
"id": "mp-1180939",
"created_at": "2022-09-04T14:46:54.946940Z",
"structure_string": "K2 Os2 Br8 N2 O4\n1.0\n4.827123 6.689615 0.000000\n-4.827123 6.689615 0.000000\n0.000000 0.000000 7.435352\nK Os Br N O\n2 2 8 2 4\ndirect\n0.345016 0.345016 0.475478 K\n0.654984 0.654984 0.975478 K\n0.842017 0.842017 0.506980 Os\n0.157983 0.157983 0.006980 Os\n0.152797 0.785124 0.535525 Br\n0.785124 0.152797 0.535525 Br\n0.847203 0.214876 0.035525 Br\n0.214876 0.847203 0.035525 Br\n0.889178 0.528982 0.576017 Br\n0.528982 0.889178 0.576017 Br\n0.110822 0.471018 0.076017 Br\n0.471018 0.110822 0.076017 Br\n0.819687 0.819687 0.283786 N\n0.180313 0.180313 0.783786 N\n0.835482 0.835482 0.783214 O\n0.164518 0.164518 0.283214 O\n0.460188 0.460188 0.801459 O\n0.539812 0.539812 0.301459 O\n",
"nsites": 18,
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"elements": [
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"Br",
"N",
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],
"chemical_system": "Br-K-N-O-Os",
"density": 4.114702094319785,
"density_atomic": 0.03748447967445552,
"volume": 480.1987424215582,
"volume_molar": 16.065691220208926,
"formula_full": "K2 Os2 Br8 N2 O4",
"formula_reduced": "KOsBr4NO2",
"formula_anonymous": "ABCD2E4",
"energy": -76.24451304,
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{
"id": "mp-1185937",
"created_at": "2022-09-04T14:45:22.149879Z",
"structure_string": "Mg2 Pb2\n1.0\n3.409516 0.000000 0.000000\n0.000000 5.527102 0.000000\n0.000000 0.000000 5.662513\nMg Pb\n2 2\ndirect\n0.500000 0.750000 0.189846 Mg\n0.500000 0.250000 0.810154 Mg\n0.000000 0.750000 0.700140 Pb\n0.000000 0.250000 0.299860 Pb\n",
"nsites": 4,
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"elements": [
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"density": 7.205100520197171,
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"formula_full": "Mg2 Pb2",
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"updated_at": "2021-11-28T01:37:08.616000Z",
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},
{
"id": "mp-1183526",
"created_at": "2022-09-04T14:40:42.999051Z",
"structure_string": "Be2 Pb6\n1.0\n6.493709 0.000000 0.000000\n-3.246854 5.623717 0.000000\n0.000000 0.000000 5.843924\nBe Pb\n2 6\ndirect\n0.333334 0.666669 0.749999 Be\n0.666666 0.333333 0.249998 Be\n0.171187 0.342374 0.249998 Pb\n0.657628 0.828815 0.249998 Pb\n0.171187 0.828815 0.249998 Pb\n0.828814 0.657627 0.749999 Pb\n0.342373 0.171186 0.749999 Pb\n0.828813 0.171186 0.749999 Pb\n",
"nsites": 8,
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"chemical_system": "Be-Pb",
"density": 9.81342503631059,
"density_atomic": 0.03748600399019469,
"volume": 213.41298480607804,
"volume_molar": 16.065037931424293,
"formula_full": "Be2 Pb6",
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{
"id": "mp-1187636",
"created_at": "2022-09-04T14:44:00.521944Z",
"structure_string": "Tm3 Hg1\n1.0\n4.743084 0.000000 0.000000\n0.000000 4.743084 0.000000\n0.000000 0.000000 4.743084\nTm Hg\n3 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.000000 0.000000 Hg\n",
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"density": 11.008475495486223,
"density_atomic": 0.03748672869817079,
"volume": 106.70442951174839,
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"formula_full": "Tm3 Hg1",
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"updated_at": "2021-11-28T01:36:27.472000Z",
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{
"id": "mp-23267",
"created_at": "2022-09-04T14:42:10.162917Z",
"structure_string": "Be2 Cl4\n1.0\n-2.623531 2.868956 5.315988\n2.623531 -2.868956 5.315988\n2.623531 2.868956 -5.315988\nBe Cl\n2 4\ndirect\n0.000000 0.750000 0.750000 Be\n0.000000 0.250000 0.250000 Be\n0.295422 0.603482 0.691940 Cl\n0.704578 0.396518 0.308060 Cl\n0.911542 0.103482 0.808060 Cl\n0.088458 0.896518 0.191940 Cl\n",
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"elements": [
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"density": 1.6583287032878606,
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"volume": 160.0494076711557,
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"energy": -25.89777477,
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{
"id": "mp-558706",
"created_at": "2022-09-04T14:45:52.828466Z",
"structure_string": "Rb4 Ga12 S20\n1.0\n12.921209 0.000000 0.000000\n0.000000 7.261119 0.000000\n0.000000 2.443170 10.235080\nRb Ga S\n4 12 20\ndirect\n0.612968 0.834246 0.401656 Rb\n0.112968 0.165754 0.098344 Rb\n0.387032 0.165754 0.598344 Rb\n0.887032 0.834246 0.901656 Rb\n0.920346 0.797571 0.400898 Ga\n0.579654 0.797571 0.900898 Ga\n0.420346 0.202429 0.099102 Ga\n0.397309 0.560029 0.804409 Ga\n0.102691 0.560029 0.304409 Ga\n0.336816 0.710706 0.124000 Ga\n0.602691 0.439971 0.195591 Ga\n0.079654 0.202429 0.599102 Ga\n0.663184 0.289294 0.876000 Ga\n0.897309 0.439971 0.695591 Ga\n0.163184 0.710706 0.624000 Ga\n0.836816 0.289294 0.376000 Ga\n0.831918 0.718811 0.589166 S\n0.102172 0.809879 0.410144 S\n0.668082 0.718811 0.089166 S\n0.397828 0.809879 0.910144 S\n0.331918 0.281189 0.910834 S\n0.664716 0.345240 0.401626 S\n0.579118 0.570731 0.768833 S\n0.602172 0.190121 0.089856 S\n0.897828 0.190121 0.589856 S\n0.634796 0.064724 0.760274 S\n0.365204 0.935276 0.239726 S\n0.168082 0.281189 0.410834 S\n0.079118 0.429269 0.731167 S\n0.920882 0.570731 0.268833 S\n0.865204 0.064724 0.260274 S\n0.134796 0.935276 0.739726 S\n0.835284 0.345240 0.901626 S\n0.335284 0.654760 0.598374 S\n0.420882 0.429269 0.231167 S\n0.164716 0.654760 0.098374 S\n",
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{
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"structure_string": "Gd1 Sn3\n1.0\n4.742978 0.000000 0.000000\n0.000000 4.742978 0.000000\n0.000000 0.000000 4.742978\nGd Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Gd\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
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{
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"created_at": "2022-09-04T14:41:29.457895Z",
"structure_string": "Ce10 Ge6\n1.0\n4.451607 -7.710410 0.000000\n4.451607 7.710410 0.000000\n0.000000 0.000000 6.217104\nCe Ge\n10 6\ndirect\n0.333333 0.666667 0.000000 Ce\n0.666667 0.333333 0.500000 Ce\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.500000 Ce\n0.266108 0.000000 0.250000 Ce\n0.266108 0.266108 0.750000 Ce\n0.000000 0.733892 0.750000 Ce\n0.000000 0.266108 0.250000 Ce\n0.733892 0.733892 0.250000 Ce\n0.733892 0.000000 0.750000 Ce\n0.620498 0.000000 0.250000 Ge\n0.620498 0.620498 0.750000 Ge\n0.000000 0.379502 0.750000 Ge\n0.000000 0.620498 0.250000 Ge\n0.379502 0.379502 0.250000 Ge\n0.379502 0.000000 0.750000 Ge\n",
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{
"id": "mp-1200333",
"created_at": "2022-09-04T14:43:56.062223Z",
"structure_string": "La24 Co4 Cl44\n1.0\n11.449818 0.000000 0.000000\n0.000000 11.449818 0.000000\n0.000000 0.000000 14.649559\nLa Co Cl\n24 4 44\ndirect\n0.768510 0.988387 0.241022 La\n0.231490 0.011613 0.241022 La\n0.488387 0.731490 0.741022 La\n0.511613 0.268510 0.741022 La\n0.731490 0.511613 0.258978 La\n0.268510 0.488387 0.258978 La\n0.011613 0.768510 0.758978 La\n0.988387 0.231490 0.758978 La\n0.435910 0.763303 0.101538 La\n0.564090 0.236697 0.101538 La\n0.263303 0.064090 0.601538 La\n0.736697 0.935910 0.601538 La\n0.064090 0.736697 0.398462 La\n0.935910 0.263303 0.398462 La\n0.236697 0.435910 0.898462 La\n0.763303 0.564090 0.898462 La\n0.391011 0.757796 0.373794 La\n0.608989 0.242204 0.373794 La\n0.257796 0.108989 0.873794 La\n0.742204 0.891011 0.873794 La\n0.108989 0.742204 0.126206 La\n0.891011 0.257796 0.126206 La\n0.242204 0.391011 0.626206 La\n0.757796 0.608989 0.626206 La\n0.750000 0.250000 0.250000 Co\n0.250000 0.750000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.750000 Co\n0.601729 0.752480 0.256557 Cl\n0.398271 0.247520 0.256557 Cl\n0.252480 0.898271 0.756557 Cl\n0.747520 0.101729 0.756557 Cl\n0.898271 0.747520 0.243443 Cl\n0.101729 0.252480 0.243443 Cl\n0.247520 0.601729 0.743443 Cl\n0.752480 0.398271 0.743443 Cl\n0.640244 0.987908 0.403423 Cl\n0.359756 0.012092 0.403423 Cl\n0.487908 0.859756 0.903423 Cl\n0.512092 0.140244 0.903423 Cl\n0.859756 0.512092 0.096577 Cl\n0.140244 0.487908 0.096577 Cl\n0.012092 0.640244 0.596577 Cl\n0.987908 0.359756 0.596577 Cl\n0.746580 0.050883 0.048609 Cl\n0.253420 0.949117 0.048609 Cl\n0.550883 0.753420 0.548609 Cl\n0.449117 0.246580 0.548609 Cl\n0.753420 0.449117 0.451391 Cl\n0.246580 0.550883 0.451391 Cl\n0.949117 0.746580 0.951391 Cl\n0.050883 0.253420 0.951391 Cl\n0.500000 0.000000 0.167355 Cl\n0.500000 0.000000 0.667355 Cl\n0.000000 0.500000 0.332645 Cl\n0.000000 0.500000 0.832645 Cl\n0.000000 0.000000 0.144292 Cl\n0.500000 0.500000 0.644292 Cl\n0.500000 0.500000 0.355708 Cl\n0.000000 0.000000 0.855708 Cl\n0.500000 0.500000 0.126907 Cl\n0.000000 0.000000 0.626907 Cl\n0.000000 0.000000 0.373093 Cl\n0.500000 0.500000 0.873093 Cl\n0.267067 0.680828 0.968065 Cl\n0.732933 0.319172 0.968065 Cl\n0.180828 0.232933 0.468065 Cl\n0.819172 0.767067 0.468065 Cl\n0.232933 0.819172 0.531935 Cl\n0.767067 0.180828 0.531935 Cl\n0.319172 0.267067 0.031935 Cl\n0.680828 0.732933 0.031935 Cl\n",
"nsites": 72,
"nelements": 3,
"elements": [
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"Co",
"Cl"
],
"chemical_system": "Cl-Co-La",
"density": 4.434999888989673,
"density_atomic": 0.037489597557306145,
"volume": 1920.5327528507519,
"volume_molar": 16.063498016468778,
"formula_full": "La24 Co4 Cl44",
"formula_reduced": "La6CoCl11",
"formula_anonymous": "AB6C11",
"energy": -399.40234298,
"energy_per_atom": -5.547254763611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -372.38634298,
"band_gap": 0.6717999999999993,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0980806,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:20.022000Z",
"spacegroup": 86
},
{
"id": "mp-1114414",
"created_at": "2022-09-04T14:39:14.279040Z",
"structure_string": "Rb2 Li1 Au1 Cl6\n1.0\n0.000000 5.109155 5.109155\n5.109155 0.000000 5.109155\n5.109155 5.109155 0.000000\nRb Li Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Au\n0.752602 0.247398 0.247398 Cl\n0.247398 0.247398 0.752602 Cl\n0.247398 0.752602 0.752602 Cl\n0.247398 0.752602 0.247398 Cl\n0.752602 0.247398 0.752602 Cl\n0.752602 0.752602 0.247398 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Li",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Li-Rb",
"density": 3.657842089614388,
"density_atomic": 0.03749063265466203,
"volume": 266.73329554379984,
"volume_molar": 16.063054511434434,
"formula_full": "Rb2 Li1 Au1 Cl6",
"formula_reduced": "Rb2LiAuCl6",
"formula_anonymous": "ABC2D6",
"energy": -33.77859588,
"energy_per_atom": -3.3778595879999997,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.09459588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3588973,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.024000Z",
"spacegroup": 225
}
]
}