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{
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"results": [
{
"id": "mp-1096317",
"created_at": "2022-09-04T14:44:19.771428Z",
"structure_string": "Mg2 Ga1 Hg1\n1.0\n-5.400412 5.714635 7.875972\n5.400412 -5.714635 7.875972\n5.400412 5.714635 -7.875972\nMg Ga Hg\n2 1 1\ndirect\n0.000000 0.241674 0.241674 Mg\n0.000000 0.758326 0.758326 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Hg\n",
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{
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"elements": [
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"formula_full": "Y2 Co1 Ir1",
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"updated_at": "2021-11-28T01:39:53.099000Z",
"spacegroup": 71
},
{
"id": "mp-1095719",
"created_at": "2022-09-04T14:47:00.350440Z",
"structure_string": "Y1 Ga1 Pd2\n1.0\n-4.842602 5.955453 8.420065\n4.842602 -5.955453 8.420065\n4.842602 5.955453 -8.420065\nY Ga Pd\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.250162 0.250162 Pd\n0.000000 0.749838 0.749838 Pd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Pd-Y",
"density": 0.6350420517019703,
"density_atomic": 0.0041180439492464185,
"volume": 971.3349467122564,
"volume_molar": 146.2378943552077,
"formula_full": "Y1 Ga1 Pd2",
"formula_reduced": "YGaPd2",
"formula_anonymous": "ABC2",
"energy": -14.81367011,
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"energy_uncorrected": -14.81367011,
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"total_magnetization": 0.0002607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.055000Z",
"spacegroup": 71
},
{
"id": "mp-1093856",
"created_at": "2022-09-04T14:47:44.030623Z",
"structure_string": "Mg1 Ti1 Zn2\n1.0\n-5.525518 5.565561 7.894743\n5.525518 -5.565561 7.894743\n5.525518 5.565561 -7.894743\nMg Ti Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.000000 0.254311 0.254311 Zn\n0.000000 0.745689 0.745689 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Ti-Zn",
"density": 0.3470913637180988,
"density_atomic": 0.004118888712967315,
"volume": 971.1357307146895,
"volume_molar": 146.20790168573288,
"formula_full": "Mg1 Ti1 Zn2",
"formula_reduced": "MgTiZn2",
"formula_anonymous": "ABC2",
"energy": -5.03329618,
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"energy_uncorrected": -5.03329618,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:16.366000Z",
"spacegroup": 71
},
{
"id": "mp-1214431",
"created_at": "2022-09-04T14:45:00.056191Z",
"structure_string": "Cd1 Sn3 F6\n1.0\n11.630125 0.000000 0.000000\n-5.684686 10.180416 0.000000\n-0.935830 -2.978149 20.499904\nCd Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.500000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.392861 0.994151 0.916771 F\n0.607139 0.005849 0.083229 F\n0.995811 0.073658 0.594042 F\n0.004189 0.926342 0.405958 F\n0.088608 0.385191 0.004714 F\n0.911392 0.614809 0.995286 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "Cd-F-Sn",
"density": 0.3985352287073961,
"density_atomic": 0.0041200099545190905,
"volume": 2427.178601602979,
"volume_molar": 146.16811188513103,
"formula_full": "Cd1 Sn3 F6",
"formula_reduced": "CdSn3F6",
"formula_anonymous": "AB3C6",
"energy": -39.01419851,
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"updated_at": "2021-11-28T01:36:49.806000Z",
"spacegroup": 2
},
{
"id": "mp-1096474",
"created_at": "2022-09-04T14:48:01.029407Z",
"structure_string": "La2 Co1 Ir1\n1.0\n-4.709823 6.046031 8.522119\n4.709823 -6.046031 8.522119\n4.709823 6.046031 -8.522119\nLa Co Ir\n2 1 1\ndirect\n0.000000 0.237868 0.237868 La\n0.000000 0.762132 0.762132 La\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 4,
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"elements": [
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"Co",
"Ir"
],
"chemical_system": "Co-Ir-La",
"density": 0.9048786049596492,
"density_atomic": 0.004120761221266363,
"volume": 970.6944385316137,
"volume_molar": 146.14146359466366,
"formula_full": "La2 Co1 Ir1",
"formula_reduced": "La2CoIr",
"formula_anonymous": "ABC2",
"energy": -19.81142181,
"energy_per_atom": -4.9528554525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -19.81142181,
"band_gap": 0.2128000000000001,
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"updated_at": "2021-11-28T01:38:29.074000Z",
"spacegroup": 71
},
{
"id": "mp-1097283",
"created_at": "2022-09-04T14:45:29.505887Z",
"structure_string": "Li1 Hf1 Au2\n1.0\n-5.301845 5.681795 8.044875\n5.301845 -5.681795 8.044875\n5.301845 5.681795 -8.044875\nLi Hf Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Hf\n0.000000 0.251415 0.251415 Au\n0.000000 0.748585 0.748585 Au\n",
"nsites": 4,
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"elements": [
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"Hf",
"Au"
],
"chemical_system": "Au-Hf-Li",
"density": 0.9924504381476513,
"density_atomic": 0.004126369477093345,
"volume": 969.3751425327135,
"volume_molar": 145.9428389394266,
"formula_full": "Li1 Hf1 Au2",
"formula_reduced": "LiHfAu2",
"formula_anonymous": "ABC2",
"energy": -12.33983028,
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"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.063000Z",
"spacegroup": 71
},
{
"id": "mp-1096203",
"created_at": "2022-09-04T14:44:52.059327Z",
"structure_string": "Zr1 Pd1 Au2\n1.0\n-5.171212 5.756454 8.140253\n5.171212 -5.756454 8.140253\n5.171212 5.756454 -8.140253\nZr Pd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 Pd\n0.000000 0.249656 0.249656 Au\n0.000000 0.750344 0.750344 Au\n",
"nsites": 4,
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"Pd",
"Au"
],
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"volume": 969.2711257713249,
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"formula_full": "Zr1 Pd1 Au2",
"formula_reduced": "ZrPdAu2",
"formula_anonymous": "ABC2",
"energy": -12.87639347,
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"energy_above_hull": null,
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},
{
"id": "mp-1097637",
"created_at": "2022-09-04T14:48:17.621472Z",
"structure_string": "Zn1 Cd1 Au2\n1.0\n-5.164011 5.754781 8.138677\n5.164011 -5.754781 8.138677\n5.164011 5.754781 -8.138677\nZn Cd Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Cd\n0.000000 0.246190 0.246190 Au\n0.000000 0.753810 0.753810 Au\n",
"nsites": 4,
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"elements": [
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"Cd",
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"density": 0.981358956045918,
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"volume": 967.4527513617732,
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"formula_full": "Zn1 Cd1 Au2",
"formula_reduced": "ZnCdAu2",
"formula_anonymous": "ABC2",
"energy": -5.71212647,
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"updated_at": "2021-11-28T01:38:53.769000Z",
"spacegroup": 71
},
{
"id": "mp-1097190",
"created_at": "2022-09-04T14:42:05.853209Z",
"structure_string": "Hf1 Ti1 Au2\n1.0\n-5.238398 5.715602 8.076639\n5.238398 -5.715602 8.076639\n5.238398 5.715602 -8.076639\nHf Ti Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Ti\n0.000000 0.250360 0.250360 Au\n0.000000 0.749640 0.749640 Au\n",
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"volume": 967.2776087258001,
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"formula_full": "Hf1 Ti1 Au2",
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"spacegroup": 71
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{
"id": "mp-1096321",
"created_at": "2022-09-04T14:46:59.865391Z",
"structure_string": "Mg2 Zn1 Au1\n1.0\n-5.371416 5.643807 7.976551\n5.371416 -5.643807 7.976551\n5.371416 5.643807 -7.976551\nMg Zn Au\n2 1 1\ndirect\n0.000000 0.257701 0.257701 Mg\n0.000000 0.742299 0.742299 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Au\n",
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"volume": 967.2440792600221,
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"formula_full": "Mg2 Zn1 Au1",
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{
"id": "mp-1096134",
"created_at": "2022-09-04T14:42:14.275284Z",
"structure_string": "Be1 Ge1 Pt2\n1.0\n-4.469837 6.187940 8.742377\n4.469837 -6.187940 8.742377\n4.469837 6.187940 -8.742377\nBe Ge Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Ge\n0.000000 0.243890 0.243890 Pt\n0.000000 0.756110 0.756110 Pt\n",
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"volume": 967.2245300384091,
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"formula_full": "Be1 Ge1 Pt2",
"formula_reduced": "BeGePt2",
"formula_anonymous": "ABC2",
"energy": -13.69212396,
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"updated_at": "2021-11-28T01:35:45.026000Z",
"spacegroup": 71
}
]
}