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{
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"results": [
{
"id": "mp-1096301",
"created_at": "2022-09-04T14:43:56.160369Z",
"structure_string": "Mg1 Ag1 Pd2\n1.0\n-5.115267 5.511502 7.791353\n5.115267 -5.511502 7.791353\n5.115267 5.511502 -7.791353\nMg Ag Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ag\n0.000000 0.239693 0.239693 Pd\n0.000000 0.760307 0.760307 Pd\n",
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"density": 0.6520391302415862,
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"volume": 878.6403614770967,
"volume_molar": 132.28239835580894,
"formula_full": "Mg1 Ag1 Pd2",
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{
"id": "mp-1095819",
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"structure_string": "Hf2 Mo1 Pd1\n1.0\n-4.921823 5.600229 7.967504\n4.921823 -5.600229 7.967504\n4.921823 5.600229 -7.967504\nHf Mo Pd\n2 1 1\ndirect\n0.000000 0.242710 0.242710 Hf\n0.000000 0.757290 0.757290 Hf\n0.000000 0.000000 0.000000 Mo\n0.000000 0.500000 0.500000 Pd\n",
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"elements": [
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"chemical_system": "Hf-Mo-Pd",
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"volume": 878.4439560656476,
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"formula_full": "Hf2 Mo1 Pd1",
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"updated_at": "2021-11-28T01:36:00.073000Z",
"spacegroup": 71
},
{
"id": "mp-1096630",
"created_at": "2022-09-04T14:45:11.836194Z",
"structure_string": "Zr2 Ir1 Pd1\n1.0\n-4.920524 5.624477 7.929049\n4.920524 -5.624477 7.929049\n4.920524 5.624477 -7.929049\nZr Ir Pd\n2 1 1\ndirect\n0.000000 0.260565 0.260565 Zr\n0.000000 0.739435 0.739435 Zr\n0.000000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Ir",
"Pd"
],
"chemical_system": "Ir-Pd-Zr",
"density": 0.9101151018801695,
"density_atomic": 0.0045570668411762435,
"volume": 877.7575882489236,
"volume_molar": 132.1494937398285,
"formula_full": "Zr2 Ir1 Pd1",
"formula_reduced": "Zr2IrPd",
"formula_anonymous": "ABC2",
"energy": -20.60588297,
"energy_per_atom": -5.1514707425,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -20.60588297,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.333000Z",
"spacegroup": 71
},
{
"id": "mp-1095864",
"created_at": "2022-09-04T14:46:15.160417Z",
"structure_string": "Sc2 Ga1 Rh1\n1.0\n-5.017930 5.552297 7.874631\n5.017930 -5.552297 7.874631\n5.017930 5.552297 -7.874631\nSc Ga Rh\n2 1 1\ndirect\n0.000000 0.273002 0.273002 Sc\n0.000000 0.726998 0.726998 Sc\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Ga",
"Rh"
],
"chemical_system": "Ga-Rh-Sc",
"density": 0.4967725876978393,
"density_atomic": 0.004557980891133017,
"volume": 877.5815641924917,
"volume_molar": 132.122992698704,
"formula_full": "Sc2 Ga1 Rh1",
"formula_reduced": "Sc2GaRh",
"formula_anonymous": "ABC2",
"energy": -15.71363834,
"energy_per_atom": -3.928409585,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:26.870000Z",
"spacegroup": 71
},
{
"id": "mp-1097568",
"created_at": "2022-09-04T14:42:55.184767Z",
"structure_string": "Mg1 Zr1 Pt2\n1.0\n-4.972131 5.622512 7.844426\n4.972131 -5.622512 7.844426\n4.972131 5.622512 -7.844426\nMg Zr Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.261807 0.261807 Pt\n0.000000 0.738193 0.738193 Pt\n",
"nsites": 4,
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"elements": [
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"Zr",
"Pt"
],
"chemical_system": "Mg-Pt-Zr",
"density": 0.957294049739543,
"density_atomic": 0.00456001085095163,
"volume": 877.1908950973743,
"volume_molar": 132.06417609166954,
"formula_full": "Mg1 Zr1 Pt2",
"formula_reduced": "MgZrPt2",
"formula_anonymous": "ABC2",
"energy": -15.76535528,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -15.76535528,
"band_gap": 0.4424999999999999,
"is_gap_direct": false,
"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.017000Z",
"spacegroup": 71
},
{
"id": "mp-1096007",
"created_at": "2022-09-04T14:47:36.140504Z",
"structure_string": "Hf1 Mg1 Pt2\n1.0\n-4.975866 5.581457 7.893429\n4.975866 -5.581457 7.893429\n4.975866 5.581457 -7.893429\nHf Mg Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Mg\n0.000000 0.264237 0.264237 Pt\n0.000000 0.735763 0.735763 Pt\n",
"nsites": 4,
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"elements": [
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"Mg",
"Pt"
],
"chemical_system": "Hf-Mg-Pt",
"density": 1.1228835887766617,
"density_atomic": 0.004561608755381953,
"volume": 876.8836203413223,
"volume_molar": 132.01791479584608,
"formula_full": "Hf1 Mg1 Pt2",
"formula_reduced": "HfMgPt2",
"formula_anonymous": "ABC2",
"energy": -17.57128746,
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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -17.57128746,
"band_gap": 0.9484,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:17.108000Z",
"spacegroup": 71
},
{
"id": "mp-1096252",
"created_at": "2022-09-04T14:45:07.038994Z",
"structure_string": "Ti1 Nb1 W2\n1.0\n-4.594186 5.790295 8.239481\n4.594186 -5.790295 8.239481\n4.594186 5.790295 -8.239481\nTi Nb W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Nb\n0.000000 0.250541 0.250541 W\n0.000000 0.749459 0.749459 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"W"
],
"chemical_system": "Nb-Ti-W",
"density": 0.9630107247599548,
"density_atomic": 0.004562373950507092,
"volume": 876.7365506186563,
"volume_molar": 131.99577293156034,
"formula_full": "Ti1 Nb1 W2",
"formula_reduced": "TiNbW2",
"formula_anonymous": "ABC2",
"energy": -24.85892856,
"energy_per_atom": -6.21473214,
"energy_above_hull": null,
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"energy_uncorrected": -24.85892856,
"band_gap": 0.0804999999999998,
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"total_magnetization": 3.0004979,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.911000Z",
"spacegroup": 71
},
{
"id": "mp-1096173",
"created_at": "2022-09-04T14:48:31.666173Z",
"structure_string": "Mn1 In1 Pt2\n1.0\n-4.906643 5.619476 7.948405\n4.906643 -5.619476 7.948405\n4.906643 5.619476 -7.948405\nMn In Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 In\n0.000000 0.241534 0.241534 Pt\n0.000000 0.758466 0.758466 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Pt"
],
"chemical_system": "In-Mn-Pt",
"density": 1.060615464027639,
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"volume": 876.6379357891079,
"volume_molar": 131.98092612194625,
"formula_full": "Mn1 In1 Pt2",
"formula_reduced": "MnInPt2",
"formula_anonymous": "ABC2",
"energy": -17.06841394,
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"energy_uncorrected": -17.06841394,
"band_gap": 0.0015999999999998,
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"updated_at": "2021-11-28T01:40:02.181000Z",
"spacegroup": 71
},
{
"id": "mp-1097599",
"created_at": "2022-09-04T14:41:34.689504Z",
"structure_string": "Hf2 Cu1 Tc1\n1.0\n-5.004099 5.546798 7.894786\n5.004099 -5.546798 7.894786\n5.004099 5.546798 -7.894786\nHf Cu Tc\n2 1 1\ndirect\n0.000000 0.274889 0.274889 Hf\n0.000000 0.725111 0.725111 Hf\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Cu",
"Tc"
],
"chemical_system": "Cu-Hf-Tc",
"density": 0.9823155934699752,
"density_atomic": 0.004563430012507336,
"volume": 876.5336575858289,
"volume_molar": 131.96522667148759,
"formula_full": "Hf2 Cu1 Tc1",
"formula_reduced": "Hf2CuTc",
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"energy": -21.42862395,
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"energy_uncorrected": -21.42862395,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.722000Z",
"spacegroup": 71
},
{
"id": "mp-1096213",
"created_at": "2022-09-04T14:39:24.966627Z",
"structure_string": "Sc2 Cu1 Pd1\n1.0\n-4.987671 5.579399 7.872279\n4.987671 -5.579399 7.872279\n4.987671 5.579399 -7.872279\nSc Cu Pd\n2 1 1\ndirect\n0.000000 0.263104 0.263104 Sc\n0.000000 0.736896 0.736896 Sc\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
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"density": 0.49246189461325734,
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"volume": 876.285625375941,
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"updated_at": "2021-11-28T01:34:24.932000Z",
"spacegroup": 71
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{
"id": "mp-1095918",
"created_at": "2022-09-04T14:43:54.139406Z",
"structure_string": "Y1 Ga1 Cu2\n1.0\n-5.195131 5.464402 7.712773\n5.195131 -5.464402 7.712773\n5.195131 5.464402 -7.712773\nY Ga Cu\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.231833 0.231833 Cu\n0.000000 0.768167 0.768167 Cu\n",
"nsites": 4,
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"volume": 875.8095683988981,
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"formula_full": "Y1 Ga1 Cu2",
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"energy": -10.308622,
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"updated_at": "2021-11-28T01:36:08.107000Z",
"spacegroup": 71
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{
"id": "mp-1096313",
"created_at": "2022-09-04T14:45:16.235898Z",
"structure_string": "Hf2 Re1 Pd1\n1.0\n-4.874600 5.644428 7.957118\n4.874600 -5.644428 7.957118\n4.874600 5.644428 -7.957118\nHf Re Pd\n2 1 1\ndirect\n0.000000 0.261759 0.261759 Hf\n0.000000 0.738241 0.738241 Hf\n0.000000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"density": 1.2317571220026051,
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"volume": 875.7390415434063,
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"formula_full": "Hf2 Re1 Pd1",
"formula_reduced": "Hf2RePd",
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"energy": -24.20388391,
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"updated_at": "2021-11-28T01:36:54.685000Z",
"spacegroup": 71
}
]
}