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{
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"results": [
{
"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",
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"volume": 969.3751425327135,
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{
"id": "mp-1096474",
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"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",
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"formula_full": "La2 Co1 Ir1",
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"updated_at": "2021-11-28T01:38:29.074000Z",
"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,
"nelements": 3,
"elements": [
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"Sn",
"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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"energy_uncorrected": -36.24219851,
"band_gap": 0.8714999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.806000Z",
"spacegroup": 2
},
{
"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,
"nelements": 3,
"elements": [
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"Ti",
"Zn"
],
"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,
"energy_per_atom": -1.258324045,
"energy_above_hull": null,
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"energy_uncorrected": -5.03329618,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.366000Z",
"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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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Y",
"density": 0.6350420517019703,
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"volume": 971.3349467122564,
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"formula_full": "Y1 Ga1 Pd2",
"formula_reduced": "YGaPd2",
"formula_anonymous": "ABC2",
"energy": -14.81367011,
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"energy_above_hull": null,
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"energy_uncorrected": -14.81367011,
"band_gap": 0.2320999999999999,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:45.055000Z",
"spacegroup": 71
},
{
"id": "mp-1093950",
"created_at": "2022-09-04T14:48:29.165825Z",
"structure_string": "Y2 Co1 Ir1\n1.0\n-4.828884 5.973797 8.422753\n4.828884 -5.973797 8.422753\n4.828884 5.973797 -8.422753\nY Co Ir\n2 1 1\ndirect\n0.000000 0.243012 0.243012 Y\n0.000000 0.756988 0.756988 Y\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-Y",
"density": 0.7329199157306338,
"density_atomic": 0.0041157472971929225,
"volume": 971.8769669673679,
"volume_molar": 146.319497411984,
"formula_full": "Y2 Co1 Ir1",
"formula_reduced": "Y2CoIr",
"formula_anonymous": "ABC2",
"energy": -19.55715343,
"energy_per_atom": -4.8892883575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -19.55715343,
"band_gap": 0.2135000000000002,
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"total_magnetization": 2.98e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:53.099000Z",
"spacegroup": 71
},
{
"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",
"nsites": 4,
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"elements": [
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"Ga",
"Hg"
],
"chemical_system": "Ga-Hg-Mg",
"density": 0.5446975137580196,
"density_atomic": 0.004114153072191612,
"volume": 972.2535670918044,
"volume_molar": 146.37619588597371,
"formula_full": "Mg2 Ga1 Hg1",
"formula_reduced": "Mg2GaHg",
"formula_anonymous": "ABC2",
"energy": -2.26507654,
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"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -2.26507654,
"band_gap": 0.0684999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.899000Z",
"spacegroup": 71
},
{
"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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"Ag",
"Au"
],
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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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"band_gap": 9.999999999976694e-05,
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"updated_at": "2021-11-28T01:36:40.143000Z",
"spacegroup": 71
},
{
"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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"Zn",
"Pt"
],
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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",
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"updated_at": "2021-11-28T01:36:18.657000Z",
"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",
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"volume": 973.1511267461602,
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"updated_at": "2021-11-28T01:34:52.657000Z",
"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",
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"density": 0.399466556146876,
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"volume": 973.3826637015625,
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"formula_full": "Li2 Cd1 Ag1",
"formula_reduced": "Li2CdAg",
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"updated_at": "2021-11-28T01:35:50.675000Z",
"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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"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",
"energy": -9.9052299,
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"updated_at": "2021-11-28T01:35:09.725000Z",
"spacegroup": 71
}
]
}