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{
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"results": [
{
"id": "mp-1097116",
"created_at": "2022-09-04T14:45:21.379872Z",
"structure_string": "Ca2 Zn1 Pd1\n1.0\n-5.791362 6.046307 8.538105\n5.791362 -6.046307 8.538105\n5.791362 6.046307 -8.538105\nCa Zn Pd\n2 1 1\ndirect\n0.000000 0.275624 0.275624 Ca\n0.000000 0.724376 0.724376 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Pd\n",
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{
"id": "mp-1096483",
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"updated_at": "2021-11-28T01:34:30.492000Z",
"spacegroup": 71
},
{
"id": "mp-1096197",
"created_at": "2022-09-04T14:45:59.071454Z",
"structure_string": "Ti2 Nb1 Mo1\n1.0\n-4.501337 7.174377 10.480420\n4.501337 -7.174377 10.480420\n4.501337 7.174377 -10.480420\nTi Nb Mo\n2 1 1\ndirect\n0.000000 0.251461 0.251461 Ti\n0.000000 0.748539 0.748539 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"density": 0.3490516145832397,
"density_atomic": 0.0029545788873455822,
"volume": 1353.8308342796129,
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"formula_full": "Ti2 Nb1 Mo1",
"formula_reduced": "Ti2NbMo",
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"energy": -20.79117674,
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"updated_at": "2021-11-28T01:37:16.364000Z",
"spacegroup": 71
},
{
"id": "mp-1096093",
"created_at": "2022-09-04T14:44:22.662348Z",
"structure_string": "Li1 Y2 Cd1\n1.0\n-6.263055 6.325734 8.922546\n6.263055 -6.325734 8.922546\n6.263055 6.325734 -8.922546\nLi Y Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.254224 0.254224 Y\n0.000000 0.745776 0.745776 Y\n0.000000 0.500000 0.500000 Cd\n",
"nsites": 4,
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"elements": [
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"Y",
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],
"chemical_system": "Cd-Li-Y",
"density": 0.3489786967178001,
"density_atomic": 0.002828876924876369,
"volume": 1413.9886980678075,
"volume_molar": 212.88097432033692,
"formula_full": "Li1 Y2 Cd1",
"formula_reduced": "LiY2Cd",
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.164000Z",
"spacegroup": 71
},
{
"id": "mp-1206461",
"created_at": "2022-09-04T14:43:17.196749Z",
"structure_string": "Sm2 Mn1 Sb3\n1.0\n9.242805 0.000000 0.000000\n0.000000 9.242805 0.000000\n0.000000 0.000000 40.179076\nSm Mn Sb\n2 1 3\ndirect\n0.500000 0.500000 0.242742 Sm\n0.500000 0.500000 0.757258 Sm\n0.500000 0.500000 0.500000 Mn\n0.500000 0.500000 0.690696 Sb\n0.500000 0.500000 0.309304 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 6,
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],
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"density": 0.3487703167120185,
"density_atomic": 0.0017480092405516398,
"volume": 3432.4761338827416,
"volume_molar": 344.51424055970796,
"formula_full": "Sm2 Mn1 Sb3",
"formula_reduced": "Sm2MnSb3",
"formula_anonymous": "AB2C3",
"energy": -16.660805110000002,
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"energy_above_hull": null,
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"energy_uncorrected": -16.08480511,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.237000Z",
"spacegroup": 123
},
{
"id": "mp-1097603",
"created_at": "2022-09-04T14:47:56.378380Z",
"structure_string": "Ba2 Mg1 Zn1\n1.0\n-6.715351 6.753879 9.569154\n6.715351 -6.753879 9.569154\n6.715351 6.753879 -9.569154\nBa Mg Zn\n2 1 1\ndirect\n0.000000 0.266732 0.266732 Ba\n0.000000 0.733268 0.733268 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"Mg",
"Zn"
],
"chemical_system": "Ba-Mg-Zn",
"density": 0.34852488927103753,
"density_atomic": 0.0023041166537993733,
"volume": 1736.0232145382915,
"volume_molar": 261.3644040144317,
"formula_full": "Ba2 Mg1 Zn1",
"formula_reduced": "Ba2MgZn",
"formula_anonymous": "ABC2",
"energy": -1.29842723,
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"energy_above_hull": null,
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"energy_uncorrected": -1.29842723,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.682000Z",
"spacegroup": 71
},
{
"id": "mp-1096481",
"created_at": "2022-09-04T14:41:50.142266Z",
"structure_string": "Mg1 Zn2 Ru1\n1.0\n-5.308028 5.864062 9.805868\n5.308028 -5.864062 9.805868\n5.308028 5.864062 -9.805868\nMg Zn Ru\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.266702 0.266702 Zn\n0.000000 0.733298 0.733298 Zn\n0.000000 0.500000 0.500000 Ru\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ru"
],
"chemical_system": "Mg-Ru-Zn",
"density": 0.3484484717746915,
"density_atomic": 0.0032762889623982605,
"volume": 1220.8935310370118,
"volume_molar": 183.80981742195783,
"formula_full": "Mg1 Zn2 Ru1",
"formula_reduced": "MgZn2Ru",
"formula_anonymous": "ABC2",
"energy": -5.88521629,
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"energy_above_hull": null,
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"energy_uncorrected": -5.88521629,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.925000Z",
"spacegroup": 71
},
{
"id": "mp-1215096",
"created_at": "2022-09-04T14:39:32.959654Z",
"structure_string": "Ag3 S1 I3\n1.0\n11.521519 8.670165 0.000000\n-11.521519 8.670165 0.000000\n0.000000 0.322875 17.586674\nAg S I\n3 1 3\ndirect\n0.615381 0.894947 0.897031 Ag\n0.894947 0.615381 0.897031 Ag\n0.884372 0.884372 0.623752 Ag\n0.999053 0.999053 0.999350 S\n0.000262 0.000262 0.530390 I\n0.539229 0.989154 0.988894 I\n0.989154 0.539229 0.988894 I\n",
"nsites": 7,
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"elements": [
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"S",
"I"
],
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"density": 0.34801827134173396,
"density_atomic": 0.0019922655636191895,
"volume": 3513.5878106951063,
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"formula_full": "Ag3 S1 I3",
"formula_reduced": "Ag3SI3",
"formula_anonymous": "AB3C3",
"energy": -12.23428454,
"energy_per_atom": -1.7477549342857144,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:35.328000Z",
"spacegroup": 8
},
{
"id": "mp-1097071",
"created_at": "2022-09-04T14:47:54.857459Z",
"structure_string": "Li1 Y2 Co1\n1.0\n-5.536245 6.067488 8.660098\n5.536245 -6.067488 8.660098\n5.536245 6.067488 -8.660098\nLi Y Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.300602 0.300602 Y\n0.000000 0.699398 0.699398 Y\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
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"elements": [
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"Y",
"Co"
],
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"density": 0.3477542645376495,
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"volume": 1163.6088752639187,
"volume_molar": 175.18541091061502,
"formula_full": "Li1 Y2 Co1",
"formula_reduced": "LiY2Co",
"formula_anonymous": "ABC2",
"energy": -13.13989212,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:27.204000Z",
"spacegroup": 71
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{
"id": "mp-1095829",
"created_at": "2022-09-04T14:48:06.199986Z",
"structure_string": "Na1 Mg2 Tl1\n1.0\n-6.111598 6.123834 8.819410\n6.111598 -6.123834 8.819410\n6.111598 6.123834 -8.819410\nNa Mg Tl\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.254883 0.254883 Mg\n0.000000 0.745117 0.745117 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"volume": 1320.3154758596659,
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"formula_full": "Na1 Mg2 Tl1",
"formula_reduced": "NaMg2Tl",
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"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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"density": 0.3470913637180988,
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"volume": 971.1357307146895,
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"formula_full": "Mg1 Ti1 Zn2",
"formula_reduced": "MgTiZn2",
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"energy": -5.03329618,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:16.366000Z",
"spacegroup": 71
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{
"id": "mp-1096276",
"created_at": "2022-09-04T14:39:23.878546Z",
"structure_string": "Ba2 Mg1 Cd1\n1.0\n-6.950984 7.205083 9.826013\n6.950984 -7.205083 9.826013\n6.950984 7.205083 -9.826013\nBa Mg Cd\n2 1 1\ndirect\n0.739462 0.000000 0.739462 Ba\n0.260538 0.000000 0.260538 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Cd\n",
"nsites": 4,
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"density": 0.3470236804678305,
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"volume": 1968.441908362982,
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"formula_full": "Ba2 Mg1 Cd1",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:34:40.109000Z",
"spacegroup": 71
}
]
}