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{
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"results": [
{
"id": "mp-1094507",
"created_at": "2022-09-04T14:41:47.927900Z",
"structure_string": "Mg4 Sb2\n1.0\n1.656618 -2.869347 0.000000\n1.656618 2.869347 0.000000\n0.000000 0.000000 15.560948\nMg Sb\n4 2\ndirect\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.335789 Mg\n0.666667 0.333333 0.000000 Mg\n0.666667 0.333333 0.664211 Mg\n0.000000 0.000000 0.166491 Sb\n0.000000 0.000000 0.833509 Sb\n",
"nsites": 6,
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{
"id": "mp-1097480",
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"formula_full": "Mg1 Sc2 Ir1",
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"updated_at": "2021-11-28T01:38:26.011000Z",
"spacegroup": 71
},
{
"id": "mp-581665",
"created_at": "2022-09-04T14:47:16.231031Z",
"structure_string": "Ca2 In4\n1.0\n2.733717 -4.734937 0.000000\n2.733717 4.734937 0.000000\n0.000000 0.000000 7.829747\nCa In\n2 4\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.554078 In\n0.333333 0.666667 0.445922 In\n0.333333 0.666667 0.054078 In\n0.666667 0.333333 0.945922 In\n",
"nsites": 6,
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"elements": [
"Ca",
"In"
],
"chemical_system": "Ca-In",
"density": 4.419133278640548,
"density_atomic": 0.02960095803373623,
"volume": 202.69614223843013,
"volume_molar": 20.344411667813464,
"formula_full": "Ca2 In4",
"formula_reduced": "CaIn2",
"formula_anonymous": "AB2",
"energy": -15.064301240000002,
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"updated_at": "2021-11-28T01:38:02.415000Z",
"spacegroup": 194
},
{
"id": "mp-1183530",
"created_at": "2022-09-04T14:47:13.503952Z",
"structure_string": "Ca1 Eu1 Hg2\n1.0\n0.000000 3.885980 3.885980\n3.885980 0.000000 3.885980\n3.885980 3.885980 0.000000\nCa Eu Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Eu",
"Hg"
],
"chemical_system": "Ca-Eu-Hg",
"density": 8.393337125751742,
"density_atomic": 0.034082254289205985,
"volume": 117.36312880180638,
"volume_molar": 17.669432041962203,
"formula_full": "Ca1 Eu1 Hg2",
"formula_reduced": "CaEuHg2",
"formula_anonymous": "ABC2",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:58.076000Z",
"spacegroup": 225
},
{
"id": "mp-1099313",
"created_at": "2022-09-04T14:46:15.838434Z",
"structure_string": "Li1 Mg6 Ga1\n1.0\n3.108280 -5.392745 0.000000\n3.108280 5.392745 0.000000\n0.000000 0.000000 5.061280\nLi Mg Ga\n1 6 1\ndirect\n0.168302 0.831698 0.000000 Li\n0.169410 0.338534 0.000000 Mg\n0.661466 0.830590 0.000000 Mg\n0.666204 0.333796 0.000000 Mg\n0.333242 0.163855 0.500000 Mg\n0.836145 0.666758 0.500000 Mg\n0.832687 0.167313 0.500000 Mg\n0.332544 0.667456 0.500000 Ga\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Ga"
],
"chemical_system": "Ga-Li-Mg",
"density": 2.1774441417850787,
"density_atomic": 0.04714868759930128,
"volume": 169.6759847906892,
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"formula_full": "Li1 Mg6 Ga1",
"formula_reduced": "LiMg6Ga",
"formula_anonymous": "ABC6",
"energy": -15.06368484,
"energy_per_atom": -1.882960605,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:32.044000Z",
"spacegroup": 38
},
{
"id": "mp-1184090",
"created_at": "2022-09-04T14:42:14.215653Z",
"structure_string": "Er2 Mg1 Ga1\n1.0\n0.000000 3.624985 3.624985\n3.624985 0.000000 3.624985\n3.624985 3.624985 0.000000\nEr Mg Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Er\n0.750000 0.750000 0.750000 Er\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Mg",
"Ga"
],
"chemical_system": "Er-Ga-Mg",
"density": 7.469609637437277,
"density_atomic": 0.04198666250479064,
"volume": 95.26834859864375,
"volume_molar": 14.342985130844536,
"formula_full": "Er2 Mg1 Ga1",
"formula_reduced": "Er2MgGa",
"formula_anonymous": "ABC2",
"energy": -15.06287197,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.732000Z",
"spacegroup": 225
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{
"id": "mp-1185416",
"created_at": "2022-09-04T14:43:39.963691Z",
"structure_string": "Li1 Sb3\n1.0\n4.681021 0.000000 0.000000\n0.000000 4.681021 0.000000\n0.000000 0.000000 4.681021\nLi Sb\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Sb"
],
"chemical_system": "Li-Sb",
"density": 6.025987141547254,
"density_atomic": 0.038997630759025875,
"volume": 102.57033368813599,
"volume_molar": 15.44232468175312,
"formula_full": "Li1 Sb3",
"formula_reduced": "LiSb3",
"formula_anonymous": "AB3",
"energy": -15.06205738,
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"energy_above_hull": null,
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"total_magnetization": 0.0003486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.505000Z",
"spacegroup": 221
},
{
"id": "mp-1185429",
"created_at": "2022-09-04T14:39:25.512943Z",
"structure_string": "Li1 Tb3\n1.0\n4.892861 0.000000 0.000000\n0.000000 4.892861 0.000000\n0.000000 0.000000 4.892861\nLi Tb\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Tb\n0.500000 0.000000 0.500000 Tb\n0.500000 0.500000 0.000000 Tb\n",
"nsites": 4,
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"elements": [
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"density": 6.857279611349873,
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"volume": 117.13552665637728,
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"formula_full": "Li1 Tb3",
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"updated_at": "2021-11-28T01:34:32.231000Z",
"spacegroup": 221
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{
"id": "mp-8062",
"created_at": "2022-09-04T14:45:08.473128Z",
"structure_string": "Si1 C1\n1.0\n0.000000 2.189780 2.189780\n2.189780 0.000000 2.189780\n2.189780 2.189780 0.000000\nSi C\n1 1\ndirect\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
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"elements": [
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"C"
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"chemical_system": "C-Si",
"density": 3.1704496658459114,
"density_atomic": 0.09523542962583557,
"volume": 21.0005877839547,
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"formula_full": "Si1 C1",
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"energy": -15.0593168,
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"updated_at": "2021-11-28T01:36:46.898000Z",
"spacegroup": 216
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{
"id": "mp-20394",
"created_at": "2022-09-04T14:47:59.917960Z",
"structure_string": "Eu1 Pb1\n1.0\n4.146985 0.000000 0.000000\n0.000000 4.146985 0.000000\n0.000000 0.000000 3.678841\nEu Pb\n1 1\ndirect\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Pb\n",
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"density": 9.426835967375427,
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"volume": 63.26681140738792,
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"formula_full": "Eu1 Pb1",
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{
"id": "mp-632539",
"created_at": "2022-09-04T14:46:23.256924Z",
"structure_string": "Tl1 In1 S2\n1.0\n4.132823 0.000000 0.000000\n-1.184727 4.949864 0.000000\n-1.342574 -1.005789 5.932164\nTl In S\n1 1 2\ndirect\n0.984809 0.733136 0.797862 Tl\n0.765380 0.208141 0.215009 In\n0.358928 0.229754 0.541327 S\n0.390883 0.828968 0.445802 S\n",
"nsites": 4,
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"volume": 121.35375564851202,
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{
"id": "mp-1224091",
"created_at": "2022-09-04T14:46:17.005985Z",
"structure_string": "In1 Cu1 Te2\n1.0\n4.460455 0.000000 0.000000\n0.000000 4.460455 0.000000\n0.000000 0.000000 6.292883\nIn Cu Te\n1 1 2\ndirect\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.216232 Te\n0.500000 0.000000 0.783768 Te\n",
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"volume": 125.20105308052788,
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"formula_full": "In1 Cu1 Te2",
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"updated_at": "2021-11-28T01:37:26.112000Z",
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]
}