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"results": [
{
"id": "mp-1111641",
"created_at": "2022-09-04T14:44:28.550877Z",
"structure_string": "K2 Na1 Ga1 Br6\n1.0\n0.000000 5.467078 5.467078\n5.467078 0.000000 5.467078\n5.467078 5.467078 0.000000\nK Na Ga Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ga\n0.765351 0.234649 0.234649 Br\n0.234649 0.234649 0.765351 Br\n0.234649 0.765351 0.765351 Br\n0.234649 0.765351 0.234649 Br\n0.765351 0.234649 0.765351 Br\n0.765351 0.765351 0.234649 Br\n",
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{
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"created_at": "2022-09-04T14:42:42.623433Z",
"structure_string": "Ce2 Mg2 Cu4\n1.0\n2.300675 -3.984885 0.000000\n2.300675 3.984885 0.000000\n0.000000 0.000000 8.412936\nCe Mg Cu\n2 2 4\ndirect\n0.666667 0.333333 0.750000 Ce\n0.333333 0.666667 0.250000 Ce\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.589113 Cu\n0.666667 0.333333 0.089113 Cu\n0.666667 0.333333 0.410887 Cu\n0.333333 0.666667 0.910887 Cu\n",
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"formula_full": "Ce2 Mg2 Cu4",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:51.275000Z",
"spacegroup": 194
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{
"id": "mp-1188006",
"created_at": "2022-09-04T14:40:00.720988Z",
"structure_string": "V2 In6\n1.0\n3.087794 -5.348216 0.000000\n3.087794 5.348216 0.000000\n0.000000 0.000000 5.297487\nV In\n2 6\ndirect\n0.333333 0.666667 0.750000 V\n0.666667 0.333333 0.250000 V\n0.169870 0.339740 0.250000 In\n0.660260 0.830130 0.250000 In\n0.169870 0.830130 0.250000 In\n0.830130 0.660260 0.750000 In\n0.339740 0.169870 0.750000 In\n0.830130 0.169870 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"V",
"In"
],
"chemical_system": "In-V",
"density": 7.5050512492471135,
"density_atomic": 0.045722801650093535,
"volume": 174.96740600504376,
"volume_molar": 13.170979342180534,
"formula_full": "V2 In6",
"formula_reduced": "VIn3",
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"energy": -32.4334561,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:44.287000Z",
"spacegroup": 194
},
{
"id": "mp-1018696",
"created_at": "2022-09-04T14:40:06.363065Z",
"structure_string": "Eu2 Cd2 Pb2\n1.0\n2.547070 -4.411654 0.000000\n2.547070 4.411654 0.000000\n0.000000 0.000000 7.984335\nEu Cd Pb\n2 2 2\ndirect\n0.000000 0.000000 0.751478 Eu\n0.000000 0.000000 0.251478 Eu\n0.666667 0.333333 0.952248 Cd\n0.333333 0.666667 0.452248 Cd\n0.666667 0.333333 0.543274 Pb\n0.333333 0.666667 0.043274 Pb\n",
"nsites": 6,
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"elements": [
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"Cd",
"Pb"
],
"chemical_system": "Cd-Eu-Pb",
"density": 8.728081558800314,
"density_atomic": 0.033437991240006314,
"volume": 179.4366161811001,
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"formula_full": "Eu2 Cd2 Pb2",
"formula_reduced": "EuCdPb",
"formula_anonymous": "ABC",
"energy": -32.43317579,
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"updated_at": "2021-11-28T01:34:47.562000Z",
"spacegroup": 186
},
{
"id": "mp-1078223",
"created_at": "2022-09-04T14:39:31.861575Z",
"structure_string": "Eu1 Ag4 Sb2\n1.0\n8.320289 -2.393656 0.000000\n8.320289 2.393656 0.000000\n7.631661 0.000000 4.088344\nEu Ag Sb\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.857978 0.857978 0.857978 Ag\n0.142022 0.142022 0.142022 Ag\n0.566457 0.566457 0.566457 Ag\n0.433543 0.433543 0.433543 Ag\n0.740847 0.740847 0.740847 Sb\n0.259153 0.259153 0.259153 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Eu",
"Ag",
"Sb"
],
"chemical_system": "Ag-Eu-Sb",
"density": 8.43246108047792,
"density_atomic": 0.0429853498008434,
"volume": 162.84617974337516,
"volume_molar": 14.009751666326654,
"formula_full": "Eu1 Ag4 Sb2",
"formula_reduced": "Eu(Ag2Sb)2",
"formula_anonymous": "AB2C4",
"energy": -32.43309191,
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"updated_at": "2021-11-28T01:34:33.152000Z",
"spacegroup": 166
},
{
"id": "mp-1226555",
"created_at": "2022-09-04T14:45:34.500002Z",
"structure_string": "Ce1 Th1 C2\n1.0\n6.187702 -1.867624 0.000000\n6.187702 1.867624 0.000000\n5.624000 0.000000 3.185325\nCe Th C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Th\n0.248971 0.248971 0.248971 C\n0.751029 0.751029 0.751029 C\n",
"nsites": 4,
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"elements": [
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"Th",
"C"
],
"chemical_system": "C-Ce-Th",
"density": 8.935813301757944,
"density_atomic": 0.05433221484931271,
"volume": 73.62114743699979,
"volume_molar": 11.08392281945815,
"formula_full": "Ce1 Th1 C2",
"formula_reduced": "CeThC2",
"formula_anonymous": "ABC2",
"energy": -32.43301829,
"energy_per_atom": -8.1082545725,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.015000Z",
"spacegroup": 166
},
{
"id": "mp-1017489",
"created_at": "2022-09-04T14:43:16.349784Z",
"structure_string": "Ce2 Mg12 Cd2\n1.0\n5.120740 0.000000 0.000000\n0.000000 6.578593 0.000000\n0.000000 0.000000 11.579599\nCe Mg Cd\n2 12 2\ndirect\n0.000000 0.500000 0.328221 Ce\n0.000000 0.000000 0.828221 Ce\n0.000000 0.745082 0.078859 Mg\n0.000000 0.254918 0.078859 Mg\n0.000000 0.000000 0.338559 Mg\n0.500000 0.241716 0.422347 Mg\n0.500000 0.758284 0.422347 Mg\n0.500000 0.000000 0.169700 Mg\n0.000000 0.245082 0.578859 Mg\n0.000000 0.754918 0.578859 Mg\n0.000000 0.500000 0.838559 Mg\n0.500000 0.741716 0.922347 Mg\n0.500000 0.258284 0.922347 Mg\n0.500000 0.500000 0.669700 Mg\n0.500000 0.500000 0.161109 Cd\n0.500000 0.000000 0.661109 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Cd"
],
"chemical_system": "Cd-Ce-Mg",
"density": 3.3915035965662885,
"density_atomic": 0.04101670020333837,
"volume": 390.08501221894375,
"volume_molar": 14.682167824679995,
"formula_full": "Ce2 Mg12 Cd2",
"formula_reduced": "CeMg6Cd",
"formula_anonymous": "ABC6",
"energy": -32.43290851,
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"updated_at": "2021-11-28T01:36:13.542000Z",
"spacegroup": 38
},
{
"id": "mp-753898",
"created_at": "2022-09-04T14:41:49.774017Z",
"structure_string": "La1 Tm1 O2\n1.0\n6.088273 -1.717866 0.000000\n6.088273 1.717866 0.000000\n5.603561 0.000000 2.935684\nLa Tm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Tm\n0.230334 0.230334 0.230334 O\n0.769666 0.769666 0.769666 O\n",
"nsites": 4,
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"elements": [
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"Tm",
"O"
],
"chemical_system": "La-O-Tm",
"density": 9.18964947530561,
"density_atomic": 0.0651384301088862,
"volume": 61.40768196767331,
"volume_molar": 9.245142613866062,
"formula_full": "La1 Tm1 O2",
"formula_reduced": "LaTmO2",
"formula_anonymous": "ABC2",
"energy": -32.43059742,
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"updated_at": "2021-11-28T01:35:25.799000Z",
"spacegroup": 166
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{
"id": "mp-1111609",
"created_at": "2022-09-04T14:44:48.976111Z",
"structure_string": "K2 Rb1 As1 Br6\n1.0\n0.000000 5.888715 5.888715\n5.888715 0.000000 5.888715\n5.888715 5.888715 0.000000\nK Rb As Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.774140 0.225860 0.225860 Br\n0.225860 0.225860 0.774140 Br\n0.225860 0.774140 0.774140 Br\n0.225860 0.774140 0.225860 Br\n0.774140 0.225860 0.774140 Br\n0.774140 0.774140 0.225860 Br\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "As-Br-K-Rb",
"density": 2.919362241855133,
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"volume": 408.40552025904793,
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"formula_full": "K2 Rb1 As1 Br6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
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{
"id": "mp-9774",
"created_at": "2022-09-04T14:41:56.533139Z",
"structure_string": "Ba4 Sb2 O1\n1.0\n-2.665546 2.665546 9.221389\n2.665546 -2.665546 9.221389\n2.665546 2.665546 -9.221389\nBa Sb O\n4 2 1\ndirect\n0.671142 0.671142 0.000000 Ba\n0.328858 0.328858 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.500000 0.500000 Ba\n0.862574 0.862574 0.000000 Sb\n0.137426 0.137426 0.000000 Sb\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Ba4 Sb2 O1",
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{
"id": "mp-11181",
"created_at": "2022-09-04T14:40:30.639614Z",
"structure_string": "Cs1 Mn2 P2\n1.0\n-1.911306 1.911306 7.398107\n1.911306 -1.911306 7.398107\n1.911306 1.911306 -7.398107\nCs Mn P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Cs\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.666589 0.666589 0.000000 P\n0.333411 0.333411 0.000000 P\n",
"nsites": 5,
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"density": 4.680819905278737,
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"volume": 108.10382131660828,
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"formula_full": "Cs1 Mn2 P2",
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"energy": -32.42852387,
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{
"id": "mp-684588",
"created_at": "2022-09-04T14:45:55.466114Z",
"structure_string": "Sn3 P4\n1.0\n2.558255 3.518238 0.000000\n-2.558255 3.518238 0.000000\n0.000000 2.765991 10.522487\nSn P\n3 4\ndirect\n0.951698 0.048302 0.000000 Sn\n0.787251 0.800827 0.628053 Sn\n0.199173 0.212749 0.371947 Sn\n0.962492 0.477547 0.145563 P\n0.598048 0.605615 0.310902 P\n0.394385 0.401952 0.689098 P\n0.522453 0.037508 0.854437 P\n",
"nsites": 7,
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"density": 4.208192102472708,
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"volume": 189.41633978215225,
"volume_molar": 16.295598005887268,
"formula_full": "Sn3 P4",
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"energy": -32.42578774,
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}
]
}