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{
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"results": [
{
"id": "mp-1096515",
"created_at": "2022-09-04T14:45:13.987057Z",
"structure_string": "Hf2 Cr1 Ir1\n1.0\n-4.984440 5.423380 7.854956\n4.984440 -5.423380 7.854956\n4.984440 5.423380 -7.854956\nHf Cr Ir\n2 1 1\ndirect\n0.000000 0.266439 0.266439 Hf\n0.000000 0.733561 0.733561 Hf\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Ir\n",
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"elements": [
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"density": 1.1753654736515986,
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"volume": 849.3567758280755,
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"formula_full": "Hf2 Cr1 Ir1",
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{
"id": "mp-1097565",
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"elements": [
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],
"chemical_system": "Hf-Re-Ru",
"density": 1.2599093300535749,
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"volume": 849.1197675193221,
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"formula_full": "Hf2 Re1 Ru1",
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"updated_at": "2021-11-28T01:36:20.747000Z",
"spacegroup": 71
},
{
"id": "mp-1097379",
"created_at": "2022-09-04T14:39:28.979961Z",
"structure_string": "Ti1 Nb2 Mo1\n1.0\n-4.623665 5.759520 7.970335\n4.623665 -5.759520 7.970335\n4.623665 5.759520 -7.970335\nTi Nb Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.255463 0.255463 Nb\n0.000000 0.744537 0.744537 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"Nb",
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],
"chemical_system": "Mo-Nb-Ti",
"density": 0.6446932427517881,
"density_atomic": 0.004711408631829358,
"volume": 849.0029867026986,
"volume_molar": 127.82038728960148,
"formula_full": "Ti1 Nb2 Mo1",
"formula_reduced": "TiNb2Mo",
"formula_anonymous": "ABC2",
"energy": -21.91728004,
"energy_per_atom": -5.47932001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -21.91728004,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:38.952000Z",
"spacegroup": 71
},
{
"id": "mp-1096586",
"created_at": "2022-09-04T14:41:49.217450Z",
"structure_string": "Zr1 Zn1 Ir2\n1.0\n-4.807879 5.587132 7.899684\n4.807879 -5.587132 7.899684\n4.807879 5.587132 -7.899684\nZr Zn Ir\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zn\n0.000000 0.264172 0.264172 Ir\n0.000000 0.735828 0.735828 Ir\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
"chemical_system": "Ir-Zn-Zr",
"density": 1.0584929568623187,
"density_atomic": 0.004712461548677962,
"volume": 848.813291881854,
"volume_molar": 127.79182806678723,
"formula_full": "Zr1 Zn1 Ir2",
"formula_reduced": "ZrZnIr2",
"formula_anonymous": "ABC2",
"energy": -18.26643103,
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"energy_above_hull": null,
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"energy_uncorrected": -18.26643103,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.208000Z",
"spacegroup": 71
},
{
"id": "mp-1093892",
"created_at": "2022-09-04T14:39:41.514803Z",
"structure_string": "Ta1 In1 Os2\n1.0\n-4.866465 5.640925 7.728982\n4.866465 -5.640925 7.728982\n4.866465 5.640925 -7.728982\nTa In Os\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 In\n0.000000 0.273489 0.273489 Os\n0.000000 0.726511 0.726511 Os\n",
"nsites": 4,
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"elements": [
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"In",
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],
"chemical_system": "In-Os-Ta",
"density": 1.3231060894584297,
"density_atomic": 0.004713177267859292,
"volume": 848.6843954029307,
"volume_molar": 127.77242224829865,
"formula_full": "Ta1 In1 Os2",
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"formula_anonymous": "ABC2",
"energy": -22.33752317,
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"energy_uncorrected": -22.33752317,
"band_gap": 0.0851999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.104000Z",
"spacegroup": 71
},
{
"id": "mp-1093674",
"created_at": "2022-09-04T14:47:20.809435Z",
"structure_string": "Mg2 Cu1 Pt1\n1.0\n-4.925582 5.518011 7.799467\n4.925582 -5.518011 7.799467\n4.925582 5.518011 -7.799467\nMg Cu Pt\n2 1 1\ndirect\n0.000000 0.254678 0.254678 Mg\n0.000000 0.745322 0.745322 Mg\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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"Cu",
"Pt"
],
"chemical_system": "Cu-Mg-Pt",
"density": 0.6016748000120848,
"density_atomic": 0.004717315894635834,
"volume": 847.9398219967609,
"volume_molar": 127.66032410184597,
"formula_full": "Mg2 Cu1 Pt1",
"formula_reduced": "Mg2CuPt",
"formula_anonymous": "ABC2",
"energy": -7.79458508,
"energy_per_atom": -1.94864627,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -7.79458508,
"band_gap": 0.2258999999999997,
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"is_magnetic": true,
"total_magnetization": 0.7953664,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.991000Z",
"spacegroup": 71
},
{
"id": "mp-1093638",
"created_at": "2022-09-04T14:47:14.322011Z",
"structure_string": "Zr2 Tc1 Mo1\n1.0\n-4.717041 5.613669 8.003516\n4.717041 -5.613669 8.003516\n4.717041 5.613669 -8.003516\nZr Tc Mo\n2 1 1\ndirect\n0.000000 0.254761 0.254761 Zr\n0.000000 0.745239 0.745239 Zr\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"elements": [
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"Tc",
"Mo"
],
"chemical_system": "Mo-Tc-Zr",
"density": 0.7372717692086417,
"density_atomic": 0.00471848664046997,
"volume": 847.7294320794332,
"volume_molar": 127.62864915943014,
"formula_full": "Zr2 Tc1 Mo1",
"formula_reduced": "Zr2TcMo",
"formula_anonymous": "ABC2",
"energy": -23.00442292,
"energy_per_atom": -5.75110573,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -23.00442292,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 2.3366926,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.567000Z",
"spacegroup": 71
},
{
"id": "mp-1097140",
"created_at": "2022-09-04T14:39:25.249051Z",
"structure_string": "Si1 Tc2 Sb1\n1.0\n-4.828235 5.571148 7.875423\n4.828235 -5.571148 7.875423\n4.828235 5.571148 -7.875423\nSi Tc Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.235342 0.235342 Tc\n0.000000 0.764658 0.764658 Tc\n0.000000 0.500000 0.500000 Sb\n",
"nsites": 4,
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"elements": [
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"Tc",
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],
"chemical_system": "Sb-Si-Tc",
"density": 0.6777417658994196,
"density_atomic": 0.004720554484112398,
"volume": 847.3580833485744,
"volume_molar": 127.57274130122318,
"formula_full": "Si1 Tc2 Sb1",
"formula_reduced": "SiTc2Sb",
"formula_anonymous": "ABC2",
"energy": -19.67742919,
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"energy_above_hull": null,
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"energy_uncorrected": -19.48542919,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:37.105000Z",
"spacegroup": 71
},
{
"id": "mp-1097532",
"created_at": "2022-09-04T14:45:56.479100Z",
"structure_string": "Mg1 Zn1 Pt2\n1.0\n-4.848877 5.528936 7.898236\n4.848877 -5.528936 7.898236\n4.848877 5.528936 -7.898236\nMg Zn Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n0.000000 0.252397 0.252397 Pt\n0.000000 0.747603 0.747603 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Pt-Zn",
"density": 0.9408290735461049,
"density_atomic": 0.0047226652501681805,
"volume": 846.9793618884071,
"volume_molar": 127.51572345267418,
"formula_full": "Mg1 Zn1 Pt2",
"formula_reduced": "MgZnPt2",
"formula_anonymous": "ABC2",
"energy": -8.60437492,
"energy_per_atom": -2.15109373,
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"energy_uncorrected": -8.60437492,
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"updated_at": "2021-11-28T01:37:09.537000Z",
"spacegroup": 71
},
{
"id": "mp-1095882",
"created_at": "2022-09-04T14:44:09.041908Z",
"structure_string": "Ti1 V2 Mo1\n1.0\n-5.273727 5.418619 7.408159\n5.273727 -5.418619 7.408159\n5.273727 5.418619 -7.408159\nTi V Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.769370 0.000000 0.769370 V\n0.230630 0.000000 0.230630 V\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"volume": 846.7916094533385,
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"formula_full": "Ti1 V2 Mo1",
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"updated_at": "2021-11-28T01:36:32.431000Z",
"spacegroup": 71
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{
"id": "mp-1093661",
"created_at": "2022-09-04T14:48:27.827161Z",
"structure_string": "Zr2 Cu1 Ir1\n1.0\n-5.038355 5.475947 7.671315\n5.038355 -5.475947 7.671315\n5.038355 5.475947 -7.671315\nZr Cu Ir\n2 1 1\ndirect\n0.000000 0.268567 0.268567 Zr\n0.000000 0.731433 0.731433 Zr\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Ir\n",
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"density": 0.8595171855011868,
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"formula_full": "Zr2 Cu1 Ir1",
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"updated_at": "2021-11-28T01:39:23.971000Z",
"spacegroup": 71
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{
"id": "mp-1097674",
"created_at": "2022-09-04T14:41:58.250365Z",
"structure_string": "Mg1 As1 Pd2\n1.0\n-4.909365 5.537270 7.785624\n4.909365 -5.537270 7.785624\n4.909365 5.537270 -7.785624\nMg As Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 As\n0.000000 0.268236 0.268236 Pd\n0.000000 0.731764 0.731764 Pd\n",
"nsites": 4,
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"elements": [
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"volume": 846.5925451356629,
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"formula_full": "Mg1 As1 Pd2",
"formula_reduced": "MgAsPd2",
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"band_gap": 0.4189000000000002,
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"total_magnetization": 1.0001295,
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"updated_at": "2021-11-28T01:35:35.203000Z",
"spacegroup": 71
}
]
}