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{
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"results": [
{
"id": "mp-1096585",
"created_at": "2022-09-04T14:47:10.976630Z",
"structure_string": "Li1 Mg2 Ir1\n1.0\n-5.443543 5.646810 7.960396\n5.443543 -5.646810 7.960396\n5.443543 5.646810 -7.960396\nLi Mg Ir\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.268372 0.268372 Mg\n0.000000 0.731628 0.731628 Mg\n0.000000 0.500000 0.500000 Ir\n",
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"elements": [
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"chemical_system": "Ir-Li-Mg",
"density": 0.420353642921845,
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"formula_full": "Li1 Mg2 Ir1",
"formula_reduced": "LiMg2Ir",
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{
"id": "mp-1097118",
"created_at": "2022-09-04T14:41:14.554542Z",
"structure_string": "Sc2 Al1 Ga1\n1.0\n-5.451718 5.620980 7.977579\n5.451718 -5.620980 7.977579\n5.451718 5.620980 -7.977579\nSc Al Ga\n2 1 1\ndirect\n0.000000 0.252048 0.252048 Sc\n0.000000 0.747952 0.747952 Sc\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ga-Sc",
"density": 0.3169000368065123,
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"volume": 977.8596546938711,
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"formula_full": "Sc2 Al1 Ga1",
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"updated_at": "2021-11-28T01:35:17.066000Z",
"spacegroup": 71
},
{
"id": "mp-1095895",
"created_at": "2022-09-04T14:47:05.432711Z",
"structure_string": "Li2 Zn1 Hg1\n1.0\n-5.546521 5.616342 7.843443\n5.546521 -5.616342 7.843443\n5.546521 5.616342 -7.843443\nLi Zn Hg\n2 1 1\ndirect\n0.248743 0.000000 0.248743 Li\n0.751257 0.000000 0.751257 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Zn",
"Hg"
],
"chemical_system": "Hg-Li-Zn",
"density": 0.47553399684329495,
"density_atomic": 0.004092786100014453,
"volume": 977.3293551758973,
"volume_molar": 147.1403736437322,
"formula_full": "Li2 Zn1 Hg1",
"formula_reduced": "Li2ZnHg",
"formula_anonymous": "ABC2",
"energy": -2.59891284,
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"decomposes_to": null,
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"energy_uncorrected": -2.59891284,
"band_gap": 0.6725999999999999,
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"total_magnetization": 0.0023307,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.579000Z",
"spacegroup": 71
},
{
"id": "mp-1095743",
"created_at": "2022-09-04T14:41:04.459184Z",
"structure_string": "Sc2 Cu1 Ag1\n1.0\n-5.177162 5.773004 8.168930\n5.177162 -5.773004 8.168930\n5.177162 5.773004 -8.168930\nSc Cu Ag\n2 1 1\ndirect\n0.000000 0.238419 0.238419 Sc\n0.000000 0.761581 0.761581 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ag\n",
"nsites": 4,
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"elements": [
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"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Sc",
"density": 0.4443375122353699,
"density_atomic": 0.0040958232993348435,
"volume": 976.6046305390164,
"volume_molar": 147.03126379934378,
"formula_full": "Sc2 Cu1 Ag1",
"formula_reduced": "Sc2CuAg",
"formula_anonymous": "ABC2",
"energy": -11.05934271,
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"energy_above_hull": null,
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"energy_uncorrected": -11.05934271,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.5489935,
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"updated_at": "2021-11-28T01:35:11.199000Z",
"spacegroup": 71
},
{
"id": "mp-1096322",
"created_at": "2022-09-04T14:46:37.245813Z",
"structure_string": "Sc2 Ag1 Rh1\n1.0\n-5.079058 5.781341 8.300991\n5.079058 -5.781341 8.300991\n5.079058 5.781341 -8.300991\nSc Ag Rh\n2 1 1\ndirect\n0.000000 0.220703 0.220703 Sc\n0.000000 0.779297 0.779297 Sc\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Rh-Sc",
"density": 0.5121060717534336,
"density_atomic": 0.004102591715343893,
"volume": 974.9934376944714,
"volume_molar": 146.78869304680993,
"formula_full": "Sc2 Ag1 Rh1",
"formula_reduced": "Sc2AgRh",
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"energy": -15.85535923,
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"energy_uncorrected": -15.85535923,
"band_gap": 0.3464,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.957000Z",
"spacegroup": 71
},
{
"id": "mp-1096349",
"created_at": "2022-09-04T14:40:09.976236Z",
"structure_string": "Mn1 Tl1 Pd2\n1.0\n-5.037488 5.849422 8.270153\n5.037488 -5.849422 8.270153\n5.037488 5.849422 -8.270153\nMn Tl Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Tl\n0.000000 0.237690 0.237690 Pd\n0.000000 0.762310 0.762310 Pd\n",
"nsites": 4,
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"elements": [
"Mn",
"Tl",
"Pd"
],
"chemical_system": "Mn-Pd-Tl",
"density": 0.8043387881199239,
"density_atomic": 0.004103547614606126,
"volume": 974.7663182370396,
"volume_molar": 146.75449941326022,
"formula_full": "Mn1 Tl1 Pd2",
"formula_reduced": "MnTlPd2",
"formula_anonymous": "ABC2",
"energy": -15.71912896,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -15.71912896,
"band_gap": 0.4900000000000002,
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"is_magnetic": true,
"total_magnetization": 4.9995447,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.926000Z",
"spacegroup": 71
},
{
"id": "mp-1095716",
"created_at": "2022-09-04T14:40:15.502153Z",
"structure_string": "Zr1 Ti1 Zn2\n1.0\n-5.520015 5.636062 7.823992\n5.520015 -5.636062 7.823992\n5.520015 5.636062 -7.823992\nZr Ti Zn\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.000000 0.245546 0.245546 Zn\n0.000000 0.754454 0.754454 Zn\n",
"nsites": 4,
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"elements": [
"Zr",
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn-Zr",
"density": 0.46032234265687183,
"density_atomic": 0.004108237877819001,
"volume": 973.6534540992882,
"volume_molar": 146.58695380115282,
"formula_full": "Zr1 Ti1 Zn2",
"formula_reduced": "ZrTiZn2",
"formula_anonymous": "ABC2",
"energy": -8.25435722,
"energy_per_atom": -2.063589305,
"energy_above_hull": null,
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"energy_uncorrected": -8.25435722,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.951000Z",
"spacegroup": 71
},
{
"id": "mp-1093879",
"created_at": "2022-09-04T14:41:09.943664Z",
"structure_string": "Sc1 Zn1 Au2\n1.0\n-5.291052 5.704741 8.063710\n5.291052 -5.704741 8.063710\n5.291052 5.704741 -8.063710\nSc Zn Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500000 0.500000 Zn\n0.000000 0.247763 0.247763 Au\n0.000000 0.752237 0.752237 Au\n",
"nsites": 4,
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"elements": [
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"Zn",
"Au"
],
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"density": 0.8601288855906888,
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"volume": 973.5827121537902,
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"formula_full": "Sc1 Zn1 Au2",
"formula_reduced": "ScZnAu2",
"formula_anonymous": "ABC2",
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"energy_above_hull": null,
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"energy_uncorrected": -9.9052299,
"band_gap": 0.2311,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.725000Z",
"spacegroup": 71
},
{
"id": "mp-1096684",
"created_at": "2022-09-04T14:42:50.486442Z",
"structure_string": "Li2 Cd1 Ag1\n1.0\n-5.463878 5.614969 7.931864\n5.463878 -5.614969 7.931864\n5.463878 5.614969 -7.931864\nLi Cd Ag\n2 1 1\ndirect\n0.000000 0.236069 0.236069 Li\n0.000000 0.763931 0.763931 Li\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"Cd",
"Ag"
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"chemical_system": "Ag-Cd-Li",
"density": 0.399466556146876,
"density_atomic": 0.004109380769931601,
"volume": 973.3826637015625,
"volume_molar": 146.5461853538638,
"formula_full": "Li2 Cd1 Ag1",
"formula_reduced": "Li2CdAg",
"formula_anonymous": "ABC2",
"energy": -4.49437143,
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"updated_at": "2021-11-28T01:35:50.675000Z",
"spacegroup": 71
},
{
"id": "mp-1095852",
"created_at": "2022-09-04T14:39:59.668748Z",
"structure_string": "Hf1 Sn1 Au2\n1.0\n-5.286710 5.740670 8.016268\n5.286710 -5.740670 8.016268\n5.286710 5.740670 -8.016268\nHf Sn Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Sn\n0.000000 0.255105 0.255105 Au\n0.000000 0.744895 0.744895 Au\n",
"nsites": 4,
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"elements": [
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"density": 1.179316906006323,
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"volume": 973.1511267461602,
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"formula_full": "Hf1 Sn1 Au2",
"formula_reduced": "HfSnAu2",
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"updated_at": "2021-11-28T01:34:52.657000Z",
"spacegroup": 71
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{
"id": "mp-1096632",
"created_at": "2022-09-04T14:43:55.657671Z",
"structure_string": "Y1 Zn1 Pt2\n1.0\n-4.878607 5.937288 8.394762\n4.878607 -5.937288 8.394762\n4.878607 5.937288 -8.394762\nY Zn Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Zn\n0.000000 0.252699 0.252699 Pt\n0.000000 0.747301 0.747301 Pt\n",
"nsites": 4,
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"density": 0.9295675888967194,
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"volume": 972.6404559692137,
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"formula_full": "Y1 Zn1 Pt2",
"formula_reduced": "YZnPt2",
"formula_anonymous": "ABC2",
"energy": -15.68031498,
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"energy_uncorrected": -15.68031498,
"band_gap": 0.0109000000000001,
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"updated_at": "2021-11-28T01:36:18.657000Z",
"spacegroup": 71
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{
"id": "mp-1093765",
"created_at": "2022-09-04T14:44:43.040006Z",
"structure_string": "Hf1 Ag1 Au2\n1.0\n-5.288018 5.701453 8.064240\n5.288018 -5.701453 8.064240\n5.288018 5.701453 -8.064240\nHf Ag Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ag\n0.000000 0.254819 0.254819 Au\n0.000000 0.745181 0.745181 Au\n",
"nsites": 4,
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"elements": [
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"density": 1.1615612881262105,
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"volume": 972.527541134654,
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"formula_full": "Hf1 Ag1 Au2",
"formula_reduced": "HfAgAu2",
"formula_anonymous": "ABC2",
"energy": -12.4360124,
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"energy_above_hull": null,
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"energy_uncorrected": -12.4360124,
"band_gap": 9.999999999976694e-05,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.143000Z",
"spacegroup": 71
}
]
}