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{
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"results": [
{
"id": "mp-1183723",
"created_at": "2022-09-04T14:44:19.155579Z",
"structure_string": "Cr3 H1\n1.0\n-1.594436 1.594436 3.990248\n1.594436 -1.594436 3.990248\n1.594436 1.594436 -3.990248\nCr H\n3 1\ndirect\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 H\n",
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{
"id": "mp-1065753",
"created_at": "2022-09-04T14:46:09.526310Z",
"structure_string": "Mn1 Ga1 Fe2\n1.0\n3.598925 0.000000 0.000000\n0.000000 3.598925 0.000000\n0.000000 0.000000 3.823859\nMn Ga Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 4,
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"elements": [
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"spacegroup": 123
},
{
"id": "mp-1028184",
"created_at": "2022-09-04T14:40:29.020858Z",
"structure_string": "Ca1 Mg14 Ni1\n1.0\n6.325917 -0.000000 0.000000\n-3.162959 5.478405 -0.000000\n-0.000000 0.000000 10.087473\nCa Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176906 0.838452 0.125000 Mg\n0.159044 0.829522 0.625000 Mg\n0.661548 0.323094 0.125000 Mg\n0.670478 0.340956 0.625000 Mg\n0.661548 0.838452 0.125000 Mg\n0.670478 0.829522 0.625000 Mg\n0.328555 0.171445 0.396146 Mg\n0.328555 0.171445 0.853854 Mg\n0.328555 0.657112 0.396146 Mg\n0.328555 0.657112 0.853854 Mg\n0.842888 0.171445 0.396146 Mg\n0.842888 0.171445 0.853854 Mg\n0.833333 0.666667 0.365290 Mg\n0.833333 0.666667 0.884710 Mg\n0.166667 0.333333 0.625000 Ni\n",
"nsites": 16,
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"elements": [
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"Mg",
"Ni"
],
"chemical_system": "Ca-Mg-Ni",
"density": 2.0854249363355497,
"density_atomic": 0.045767793252724676,
"volume": 349.59081185430495,
"volume_molar": 13.158031733683131,
"formula_full": "Ca1 Mg14 Ni1",
"formula_reduced": "CaMg14Ni",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:58.179000Z",
"spacegroup": 187
},
{
"id": "mp-1205937",
"created_at": "2022-09-04T14:42:27.337853Z",
"structure_string": "Pr3 Mg3 Tl3\n1.0\n3.900834 -6.756443 0.000000\n3.900834 6.756443 0.000000\n0.000000 0.000000 4.797351\nPr Mg Tl\n3 3 3\ndirect\n0.575134 0.000000 0.000000 Pr\n0.000000 0.575134 0.000000 Pr\n0.424866 0.424866 0.000000 Pr\n0.243608 0.000000 0.500000 Mg\n0.000000 0.243608 0.500000 Mg\n0.756392 0.756392 0.500000 Mg\n0.333333 0.666667 0.500000 Tl\n0.666667 0.333333 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 9,
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"elements": [
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"Tl"
],
"chemical_system": "Mg-Pr-Tl",
"density": 7.2809907388394866,
"density_atomic": 0.03559061005676639,
"volume": 252.875687875121,
"volume_molar": 16.920588746286715,
"formula_full": "Pr3 Mg3 Tl3",
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"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:50.233000Z",
"spacegroup": 189
},
{
"id": "mp-1025069",
"created_at": "2022-09-04T14:42:27.675759Z",
"structure_string": "Pr2 Sn4\n1.0\n2.278263 -7.990142 0.000000\n2.278263 7.990142 0.000000\n0.000000 0.000000 4.701142\nPr Sn\n2 4\ndirect\n0.854161 0.145839 0.500000 Pr\n0.145839 0.854161 0.500000 Pr\n0.681962 0.318038 0.000000 Sn\n0.318038 0.681962 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Pr-Sn",
"density": 7.341003922113975,
"density_atomic": 0.0350557715942464,
"volume": 171.15583902836593,
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"formula_full": "Pr2 Sn4",
"formula_reduced": "PrSn2",
"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:35:47.734000Z",
"spacegroup": 65
},
{
"id": "mp-1026789",
"created_at": "2022-09-04T14:41:52.265235Z",
"structure_string": "Li1 Mg14 Sb1\n1.0\n6.369845 0.021884 0.000000\n-3.165970 5.483621 0.000000\n0.000000 0.000000 10.434101\nLi Mg Sb\n1 14 1\ndirect\n0.166362 0.333180 0.125000 Li\n0.167423 0.333711 0.625000 Mg\n0.166639 0.833319 0.625000 Mg\n0.667433 0.332705 0.125000 Mg\n0.666381 0.333943 0.625000 Mg\n0.667433 0.834727 0.125000 Mg\n0.666381 0.832437 0.625000 Mg\n0.333762 0.167934 0.375624 Mg\n0.333762 0.167934 0.874376 Mg\n0.333762 0.665829 0.375624 Mg\n0.333762 0.665829 0.874376 Mg\n0.833173 0.166587 0.375802 Mg\n0.833173 0.166587 0.874198 Mg\n0.831633 0.665817 0.375603 Mg\n0.831633 0.665817 0.874397 Mg\n0.167286 0.833643 0.125000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Sb"
],
"chemical_system": "Li-Mg-Sb",
"density": 2.1324711958259583,
"density_atomic": 0.04381351243415011,
"volume": 365.18414322630116,
"volume_molar": 13.744939461429915,
"formula_full": "Li1 Mg14 Sb1",
"formula_reduced": "LiMg14Sb",
"formula_anonymous": "ABC14",
"energy": -29.44196819,
"energy_per_atom": -1.840123011875,
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"updated_at": "2021-11-28T01:35:35.076000Z",
"spacegroup": 38
},
{
"id": "mp-1070625",
"created_at": "2022-09-04T14:44:11.975032Z",
"structure_string": "S1 O4\n1.0\n0.000000 3.787022 3.787022\n3.787022 0.000000 3.787022\n3.787022 3.787022 0.000000\nS O\n1 4\ndirect\n0.000000 0.000000 0.000000 S\n0.113044 0.113044 0.660868 O\n0.113044 0.660868 0.113044 O\n0.660868 0.113044 0.113044 O\n0.113044 0.113044 0.113044 O\n",
"nsites": 5,
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"elements": [
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"O"
],
"chemical_system": "O-S",
"density": 1.4685203005182543,
"density_atomic": 0.046030588187778596,
"volume": 108.62342187770547,
"volume_molar": 13.08291072760812,
"formula_full": "S1 O4",
"formula_reduced": "SO4",
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"energy": -29.44224550000001,
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"updated_at": "2021-11-28T01:36:29.272000Z",
"spacegroup": 216
},
{
"id": "mp-1224129",
"created_at": "2022-09-04T14:39:24.174725Z",
"structure_string": "In1 Cu1 Sn1 Se4\n1.0\n-2.950122 2.950122 5.740880\n2.950122 -2.950122 5.740880\n2.950122 2.950122 -5.740880\nIn Cu Sn Se\n1 1 1 4\ndirect\n0.750000 0.250000 0.500000 In\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Sn\n0.621329 0.652786 0.520931 Se\n0.131855 0.100398 0.479069 Se\n0.899602 0.378671 0.031457 Se\n0.347214 0.868145 0.968543 Se\n",
"nsites": 7,
"nelements": 4,
"elements": [
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"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-In-Se-Sn",
"density": 5.0924904833619005,
"density_atomic": 0.03502511961589184,
"volume": 199.856562283485,
"volume_molar": 17.193776426869338,
"formula_full": "In1 Cu1 Sn1 Se4",
"formula_reduced": "InCuSnSe4",
"formula_anonymous": "ABCD4",
"energy": -29.44368911,
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"updated_at": "2021-11-28T01:34:26.783000Z",
"spacegroup": 82
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{
"id": "mp-1071032",
"created_at": "2022-09-04T14:42:11.910039Z",
"structure_string": "Ge2 S4\n1.0\n3.532750 0.000000 0.000000\n0.000000 3.532750 0.000000\n0.000000 0.000000 11.509668\nGe S\n2 4\ndirect\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n0.000000 0.500000 0.875954 S\n0.000000 0.500000 0.375954 S\n0.500000 0.000000 0.624046 S\n0.500000 0.000000 0.124046 S\n",
"nsites": 6,
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{
"id": "mp-1216047",
"created_at": "2022-09-04T14:45:57.820382Z",
"structure_string": "Y2 As1 S1\n1.0\n6.626988 -2.019702 0.000000\n6.626988 2.019702 0.000000\n6.011445 0.000000 3.443646\nY As S\n2 1 1\ndirect\n0.249325 0.249325 0.249325 Y\n0.750675 0.750675 0.750675 Y\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.500000 S\n",
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"updated_at": "2021-11-28T01:37:09.445000Z",
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{
"id": "mp-1185894",
"created_at": "2022-09-04T14:39:57.864767Z",
"structure_string": "Mg1 Mn1 Ir2\n1.0\n0.000000 3.054730 3.054730\n3.054730 0.000000 3.054730\n3.054730 3.054730 0.000000\nMg Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
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"density": 13.505672294396186,
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"volume": 57.00966458571764,
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"formula_full": "Mg1 Mn1 Ir2",
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"formula_anonymous": "ABC2",
"energy": -29.44775414,
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"updated_at": "2021-11-28T01:34:49.527000Z",
"spacegroup": 225
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{
"id": "mp-570863",
"created_at": "2022-09-04T14:41:48.437446Z",
"structure_string": "Cr1 Co1 Pt2\n1.0\n3.816924 0.000000 0.000000\n0.000000 3.816924 0.000000\n0.000000 0.000000 3.755510\nCr Co Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"density": 15.208108692373754,
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"volume": 54.713682769268,
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"updated_at": "2021-11-28T01:35:26.990000Z",
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}
]
}