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{
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"results": [
{
"id": "mp-1097075",
"created_at": "2022-09-04T14:40:58.345579Z",
"structure_string": "Sc1 Tl1 Cu2\n1.0\n-5.376190 5.480958 7.913708\n5.376190 -5.480958 7.913708\n5.376190 5.480958 -7.913708\nSc Tl Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Tl\n0.000000 0.245176 0.245176 Cu\n0.000000 0.754824 0.754824 Cu\n",
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{
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"chemical_system": "Hf-Rh-Y",
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"updated_at": "2021-11-28T01:35:27.167000Z",
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{
"id": "mp-1097273",
"created_at": "2022-09-04T14:39:27.578603Z",
"structure_string": "Mg2 Zn1 Ir1\n1.0\n-5.268767 5.592930 7.919557\n5.268767 -5.592930 7.919557\n5.268767 5.592930 -7.919557\nMg Zn Ir\n2 1 1\ndirect\n0.000000 0.261691 0.261691 Mg\n0.000000 0.738309 0.738309 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ir\n",
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"elements": [
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"chemical_system": "Ir-Mg-Zn",
"density": 0.5447485508383524,
"density_atomic": 0.004284999089706322,
"volume": 933.4891131270102,
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"formula_full": "Mg2 Zn1 Ir1",
"formula_reduced": "Mg2ZnIr",
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"energy": -6.05601468,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.916000Z",
"spacegroup": 71
},
{
"id": "mp-1097421",
"created_at": "2022-09-04T14:40:07.764644Z",
"structure_string": "Sc1 Ga2 Ir1\n1.0\n-5.156374 5.700587 7.946542\n5.156374 -5.700587 7.946542\n5.156374 5.700587 -7.946542\nSc Ga Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.270357 0.270357 Ga\n0.000000 0.729643 0.729643 Ga\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Ga",
"Ir"
],
"chemical_system": "Ga-Ir-Sc",
"density": 0.6693435141106767,
"density_atomic": 0.004281124215196636,
"volume": 934.33402044287,
"volume_molar": 140.66727469909202,
"formula_full": "Sc1 Ga2 Ir1",
"formula_reduced": "ScGa2Ir",
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"energy": -12.66218409,
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"energy_uncorrected": -12.66218409,
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"updated_at": "2021-11-28T01:34:46.773000Z",
"spacegroup": 71
},
{
"id": "mp-1096143",
"created_at": "2022-09-04T14:40:41.908990Z",
"structure_string": "Ta1 Tc2 Sn1\n1.0\n-4.828490 5.864109 8.249812\n4.828490 -5.864109 8.249812\n4.828490 5.864109 -8.249812\nTa Tc Sn\n1 2 1\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.269967 0.269967 Tc\n0.000000 0.730033 0.730033 Tc\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Sn-Ta-Tc",
"density": 0.8808738120971263,
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"volume": 934.3668322351978,
"volume_molar": 140.67221462989167,
"formula_full": "Ta1 Tc2 Sn1",
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"updated_at": "2021-11-28T01:35:05.394000Z",
"spacegroup": 71
},
{
"id": "mp-1096303",
"created_at": "2022-09-04T14:39:44.885388Z",
"structure_string": "Mg2 Zn1 Ga1\n1.0\n-5.327614 5.571841 7.876203\n5.327614 -5.571841 7.876203\n5.327614 5.571841 -7.876203\nMg Zn Ga\n2 1 1\ndirect\n0.000000 0.252483 0.252483 Mg\n0.000000 0.747517 0.747517 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
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"chemical_system": "Ga-Mg-Zn",
"density": 0.3262489917037634,
"density_atomic": 0.004277121946048481,
"volume": 935.2083130796618,
"volume_molar": 140.79890253219682,
"formula_full": "Mg2 Zn1 Ga1",
"formula_reduced": "Mg2ZnGa",
"formula_anonymous": "ABC2",
"energy": -2.48907358,
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"formation_energy": null,
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"energy_uncorrected": -2.48907358,
"band_gap": 0.0707999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.439000Z",
"spacegroup": 71
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{
"id": "mp-1097358",
"created_at": "2022-09-04T14:40:40.693068Z",
"structure_string": "Mg1 Zn2 Pd1\n1.0\n-5.295738 5.593849 7.899852\n5.295738 -5.593849 7.899852\n5.295738 5.593849 -7.899852\nMg Zn Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.271258 0.271258 Zn\n0.000000 0.728742 0.728742 Zn\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
"Pd"
],
"chemical_system": "Mg-Pd-Zn",
"density": 0.46395517405662096,
"density_atomic": 0.004273107466787212,
"volume": 936.0869182649996,
"volume_molar": 140.93117963466108,
"formula_full": "Mg1 Zn2 Pd1",
"formula_reduced": "MgZn2Pd",
"formula_anonymous": "ABC2",
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"total_magnetization": 4.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.907000Z",
"spacegroup": 71
},
{
"id": "mp-1097449",
"created_at": "2022-09-04T14:48:02.923592Z",
"structure_string": "Hf2 Al1 Mo1\n1.0\n-5.101742 5.735848 8.003086\n5.101742 -5.735848 8.003086\n5.101742 5.735848 -8.003086\nHf Al Mo\n2 1 1\ndirect\n0.000000 0.270499 0.270499 Hf\n0.000000 0.729501 0.729501 Hf\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"density": 0.8506827738520077,
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"volume": 936.7713529196052,
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"formula_full": "Hf2 Al1 Mo1",
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"updated_at": "2021-11-28T01:38:22.415000Z",
"spacegroup": 71
},
{
"id": "mp-1096397",
"created_at": "2022-09-04T14:47:57.175601Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-5.436170 5.525282 7.798947\n5.436170 -5.525282 7.798947\n5.436170 5.525282 -7.798947\nMg Ga Pd\n2 1 1\ndirect\n0.000000 0.272099 0.272099 Mg\n0.000000 0.727901 0.727901 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"density": 0.398300779660075,
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"volume": 937.0083009982111,
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"formula_full": "Mg2 Ga1 Pd1",
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"updated_at": "2021-11-28T01:38:16.308000Z",
"spacegroup": 71
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{
"id": "mp-1208168",
"created_at": "2022-09-04T14:45:37.219695Z",
"structure_string": "U1 P4\n1.0\n6.685101 0.000000 0.000000\n0.000000 6.685101 0.000000\n0.000000 0.000000 26.211303\nU P\n1 4\ndirect\n0.500000 0.500000 0.000000 U\n0.500000 0.500000 0.645704 P\n0.500000 0.500000 0.354296 P\n0.500000 0.500000 0.281659 P\n0.500000 0.500000 0.718341 P\n",
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"updated_at": "2021-11-28T01:37:07.036000Z",
"spacegroup": 123
},
{
"id": "mp-1207665",
"created_at": "2022-09-04T14:44:07.599535Z",
"structure_string": "Y2 C2\n1.0\n7.832452 0.000000 -2.303474\n0.000000 8.480497 0.000000\n0.491660 0.000000 13.971150\nY C\n2 2\ndirect\n0.318898 0.152192 0.233219 Y\n0.681102 0.652192 0.766781 Y\n0.171155 0.007808 0.275993 C\n0.828845 0.507808 0.724007 C\n",
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"updated_at": "2021-11-28T01:36:35.107000Z",
"spacegroup": 4
},
{
"id": "mp-1097256",
"created_at": "2022-09-04T14:48:07.692457Z",
"structure_string": "Li2 Ga1 Hg1\n1.0\n-5.460114 5.573614 7.705546\n5.460114 -5.573614 7.705546\n5.460114 5.573614 -7.705546\nLi Ga Hg\n2 1 1\ndirect\n0.244165 0.000000 0.244165 Li\n0.755835 0.000000 0.755835 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 0.5031106641363893,
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"volume": 937.9982053102617,
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"formula_full": "Li2 Ga1 Hg1",
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"updated_at": "2021-11-28T01:38:27.500000Z",
"spacegroup": 71
}
]
}