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"results": [
{
"id": "mp-981213",
"created_at": "2022-09-04T14:45:21.681154Z",
"structure_string": "Tb1 Sm1 Ir2\n1.0\n0.000000 3.474869 3.474869\n3.474869 0.000000 3.474869\n3.474869 3.474869 0.000000\nTb Sm Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
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{
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"updated_at": "2021-11-28T01:37:23.071000Z",
"spacegroup": 225
},
{
"id": "mp-1187452",
"created_at": "2022-09-04T14:41:20.461576Z",
"structure_string": "Th1 Pt3\n1.0\n4.241451 0.000000 0.000000\n0.000000 4.241451 0.000000\n0.000000 0.000000 4.241451\nTh Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Th\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pt-Th",
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"density_atomic": 0.05242236729664022,
"volume": 76.30330727655564,
"volume_molar": 11.48773142182376,
"formula_full": "Th1 Pt3",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.515000Z",
"spacegroup": 221
},
{
"id": "mp-20990",
"created_at": "2022-09-04T14:45:29.830190Z",
"structure_string": "Pr3 In1 N1\n1.0\n5.087592 0.000000 0.000000\n0.000000 5.087592 0.000000\n0.000000 0.000000 5.087592\nPr In N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Pr\n0.000000 0.500000 0.500000 Pr\n0.500000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "In-N-Pr",
"density": 6.954970764364853,
"density_atomic": 0.037969351278320275,
"volume": 131.68515741418258,
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"formula_full": "Pr3 In1 N1",
"formula_reduced": "Pr3InN",
"formula_anonymous": "ABC3",
"energy": -29.92438928,
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"updated_at": "2021-11-28T01:36:59.607000Z",
"spacegroup": 221
},
{
"id": "mp-19743",
"created_at": "2022-09-04T14:42:47.856113Z",
"structure_string": "La1 Fe1 Ge3\n1.0\n-2.182824 2.182824 5.008567\n2.182824 -2.182824 5.008567\n2.182824 2.182824 -5.008567\nLa Fe Ge\n1 1 3\ndirect\n0.565702 0.565702 0.000000 La\n0.231090 0.231090 0.000000 Fe\n0.321792 0.821792 0.500000 Ge\n0.003395 0.003395 0.000000 Ge\n0.821792 0.321792 0.500000 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Fe",
"Ge"
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"chemical_system": "Fe-Ge-La",
"density": 7.178630018113332,
"density_atomic": 0.052379226999183445,
"volume": 95.45768974555402,
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"formula_full": "La1 Fe1 Ge3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:49.561000Z",
"spacegroup": 107
},
{
"id": "mp-867835",
"created_at": "2022-09-04T14:45:35.636612Z",
"structure_string": "Be1 Si1 Ru2\n1.0\n0.000000 2.867139 2.867139\n2.867139 0.000000 2.867139\n2.867139 2.867139 0.000000\nBe Si Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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"elements": [
"Be",
"Si",
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"chemical_system": "Be-Ru-Si",
"density": 8.427571445398009,
"density_atomic": 0.08485623352040718,
"volume": 47.138552278991206,
"volume_molar": 7.0968749261675965,
"formula_full": "Be1 Si1 Ru2",
"formula_reduced": "BeSiRu2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.532000Z",
"spacegroup": 225
},
{
"id": "mp-1113296",
"created_at": "2022-09-04T14:41:14.611968Z",
"structure_string": "Cs2 Hg1 Sb1 Br6\n1.0\n0.000000 5.826711 5.826711\n5.826711 0.000000 5.826711\n5.826711 5.826711 0.000000\nCs Hg Sb Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.758891 0.241109 0.241109 Br\n0.241109 0.241109 0.758891 Br\n0.241109 0.758891 0.758891 Br\n0.241109 0.758891 0.241109 Br\n0.758891 0.241109 0.758891 Br\n0.758891 0.758891 0.241109 Br\n",
"nsites": 10,
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"elements": [
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"Hg",
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"Br"
],
"chemical_system": "Br-Cs-Hg-Sb",
"density": 4.480753904151055,
"density_atomic": 0.025275489223381988,
"volume": 395.640215373127,
"volume_molar": 23.826010672936867,
"formula_full": "Cs2 Hg1 Sb1 Br6",
"formula_reduced": "Cs2HgSbBr6",
"formula_anonymous": "ABC2D6",
"energy": -29.93230021,
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"updated_at": "2021-11-28T01:35:14.696000Z",
"spacegroup": 225
},
{
"id": "mp-1206100",
"created_at": "2022-09-04T14:44:59.636161Z",
"structure_string": "Sr2 As3 Ir3\n1.0\n5.924371 0.000000 0.000000\n0.000000 5.924371 0.000000\n0.000000 0.000000 20.625305\nSr As Ir\n2 3 3\ndirect\n0.500000 0.500000 0.750392 Sr\n0.500000 0.500000 0.249608 Sr\n0.500000 0.500000 0.390783 As\n0.500000 0.500000 0.609217 As\n0.500000 0.500000 0.000000 As\n0.500000 0.500000 0.107944 Ir\n0.500000 0.500000 0.892056 Ir\n0.500000 0.500000 0.500000 Ir\n",
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"As",
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],
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"density": 2.240297822455622,
"density_atomic": 0.01105108992200657,
"volume": 723.910497196228,
"volume_molar": 54.493636396965876,
"formula_full": "Sr2 As3 Ir3",
"formula_reduced": "Sr2(AsIr)3",
"formula_anonymous": "A2B3C3",
"energy": -29.93402797,
"energy_per_atom": -3.74175349625,
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"updated_at": "2021-11-28T01:36:49.748000Z",
"spacegroup": 123
},
{
"id": "mp-569028",
"created_at": "2022-09-04T14:43:03.442178Z",
"structure_string": "Rb2 Sn1 Br6\n1.0\n0.000000 5.502064 5.502064\n5.502064 0.000000 5.502064\n5.502064 5.502064 0.000000\nRb Sn Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Sn\n0.241093 0.758907 0.241093 Br\n0.758907 0.241093 0.758907 Br\n0.758907 0.241093 0.241093 Br\n0.758907 0.758907 0.241093 Br\n0.241093 0.758907 0.758907 Br\n0.241093 0.241093 0.758907 Br\n",
"nsites": 9,
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"elements": [
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],
"chemical_system": "Br-Rb-Sn",
"density": 3.8336091522161766,
"density_atomic": 0.027016905293491593,
"volume": 333.12475660075364,
"volume_molar": 22.290268609894195,
"formula_full": "Rb2 Sn1 Br6",
"formula_reduced": "Rb2SnBr6",
"formula_anonymous": "AB2C6",
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"updated_at": "2021-11-28T01:36:03.772000Z",
"spacegroup": 225
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{
"id": "mp-755646",
"created_at": "2022-09-04T14:46:41.963617Z",
"structure_string": "Li2 Cu2 O2\n1.0\n1.747151 -4.567057 0.000000\n1.747151 4.567057 0.000000\n0.000000 0.000000 4.810924\nLi Cu O\n2 2 2\ndirect\n0.727076 0.272924 0.750000 Li\n0.272924 0.727076 0.250000 Li\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.846195 0.153805 0.250000 O\n0.153805 0.846195 0.750000 O\n",
"nsites": 6,
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"volume": 76.77597934532146,
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"formula_full": "Li2 Cu2 O2",
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{
"id": "mp-1246084",
"created_at": "2022-09-04T14:40:30.930450Z",
"structure_string": "Rb2 Zr1 N2\n1.0\n3.443007 -0.000001 -0.000020\n-1.721504 2.981733 0.000000\n0.000068 0.000039 10.963118\nRb Zr N\n2 1 2\ndirect\n0.666668 0.333334 0.282346 Rb\n0.333332 0.666666 0.717654 Rb\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.896220 N\n0.333333 0.666667 0.103780 N\n",
"nsites": 5,
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"density": 4.281199084811723,
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"formula_full": "Rb2 Zr1 N2",
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{
"id": "mp-22945",
"created_at": "2022-09-04T14:48:11.645278Z",
"structure_string": "Te2 Rh2 Cl2\n1.0\n1.859793 6.805286 0.000000\n-1.859793 6.805286 0.000000\n0.000000 3.135933 5.985049\nTe Rh Cl\n2 2 2\ndirect\n0.140202 0.140202 0.527374 Te\n0.859798 0.859798 0.472626 Te\n0.749225 0.749225 0.246847 Rh\n0.250775 0.250775 0.753153 Rh\n0.637564 0.637564 0.031815 Cl\n0.362436 0.362436 0.968185 Cl\n",
"nsites": 6,
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"elements": [
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"density": 5.830210987534568,
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"volume": 151.4986268210821,
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"formula_full": "Te2 Rh2 Cl2",
"formula_reduced": "TeRhCl",
"formula_anonymous": "ABC",
"energy": -29.938624070000003,
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"updated_at": "2021-11-28T01:38:31.604000Z",
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]
}