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{
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"results": [
{
"id": "mp-753316",
"created_at": "2022-09-04T14:43:18.029943Z",
"structure_string": "Li2 Ag1 F5\n1.0\n3.658040 0.000000 0.000000\n0.922420 4.927742 0.000000\n0.584960 0.177608 5.930014\nLi Ag F\n2 1 5\ndirect\n0.364950 0.211564 0.433473 Li\n0.830167 0.633087 0.588969 Li\n0.925257 0.036735 0.006404 Ag\n0.002979 0.166403 0.690550 F\n0.204934 0.293562 0.120631 F\n0.364629 0.556348 0.524806 F\n0.648466 0.775334 0.894496 F\n0.788618 0.941666 0.326019 F\n",
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{
"id": "mp-1070369",
"created_at": "2022-09-04T14:45:29.221231Z",
"structure_string": "Nd1 Si3 Ir1\n1.0\n-2.131419 2.131419 4.941155\n2.131419 -2.131419 4.941155\n2.131419 2.131419 -4.941155\nNd Si Ir\n1 3 1\ndirect\n0.998936 0.998936 0.000000 Nd\n0.413933 0.413933 0.000000 Si\n0.263366 0.763366 0.500000 Si\n0.763366 0.263366 0.500000 Si\n0.654400 0.654400 0.000000 Ir\n",
"nsites": 5,
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"volume": 89.78962021729083,
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"formula_full": "Nd1 Si3 Ir1",
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"updated_at": "2021-11-28T01:37:01.316000Z",
"spacegroup": 107
},
{
"id": "mp-27487",
"created_at": "2022-09-04T14:41:14.777662Z",
"structure_string": "Li2 Th1 N2\n1.0\n1.849577 -3.203562 0.000000\n1.849577 3.203562 0.000000\n0.000000 0.000000 5.544538\nLi Th N\n2 1 2\ndirect\n0.333333 0.666667 0.403577 Li\n0.666667 0.333333 0.596423 Li\n0.000000 0.000000 0.000000 Th\n0.333333 0.666667 0.772856 N\n0.666667 0.333333 0.227144 N\n",
"nsites": 5,
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"elements": [
"Li",
"Th",
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],
"chemical_system": "Li-N-Th",
"density": 6.9229830900907245,
"density_atomic": 0.07609727315172393,
"volume": 65.70537672264447,
"volume_molar": 7.91374054625185,
"formula_full": "Li2 Th1 N2",
"formula_reduced": "Li2ThN2",
"formula_anonymous": "AB2C2",
"energy": -33.94339687,
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"total_magnetization": 2.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.227000Z",
"spacegroup": 164
},
{
"id": "mp-672213",
"created_at": "2022-09-04T14:41:28.587569Z",
"structure_string": "Eu1 As2 Pd2\n1.0\n2.199805 5.530552 0.000000\n-2.199805 5.530552 0.000000\n0.000000 1.640904 4.132716\nEu As Pd\n1 2 2\ndirect\n0.000273 0.000273 0.991197 Eu\n0.622789 0.622789 0.372741 As\n0.373453 0.373453 0.627004 As\n0.250399 0.250399 0.245717 Pd\n0.748162 0.748162 0.752352 Pd\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "As-Eu-Pd",
"density": 8.498464988776721,
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"volume": 100.55836933433251,
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"formula_full": "Eu1 As2 Pd2",
"formula_reduced": "Eu(AsPd)2",
"formula_anonymous": "AB2C2",
"energy": -33.94281854,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:09.391000Z",
"spacegroup": 8
},
{
"id": "mp-1026903",
"created_at": "2022-09-04T14:46:09.176472Z",
"structure_string": "Mg14 Co1 Ni1\n1.0\n6.165580 0.000000 0.000000\n-3.082790 5.339548 0.000000\n0.000000 0.000000 9.624948\nMg Co Ni\n14 1 1\ndirect\n0.167239 0.833619 0.125000 Mg\n0.166938 0.833469 0.625000 Mg\n0.666381 0.332761 0.125000 Mg\n0.666531 0.333062 0.625000 Mg\n0.666381 0.833619 0.125000 Mg\n0.666531 0.833469 0.625000 Mg\n0.323534 0.176466 0.374227 Mg\n0.323534 0.176466 0.875773 Mg\n0.323534 0.647069 0.374227 Mg\n0.323534 0.647069 0.875773 Mg\n0.852931 0.176466 0.374227 Mg\n0.852931 0.176466 0.875773 Mg\n0.833333 0.666667 0.375525 Mg\n0.833333 0.666667 0.874475 Mg\n0.166667 0.333333 0.125000 Co\n0.166667 0.333333 0.625000 Ni\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Co",
"Ni"
],
"chemical_system": "Co-Mg-Ni",
"density": 2.39960460929119,
"density_atomic": 0.0504943933221088,
"volume": 316.86686278087143,
"volume_molar": 11.92635531153758,
"formula_full": "Mg14 Co1 Ni1",
"formula_reduced": "Mg14CoNi",
"formula_anonymous": "ABC14",
"energy": -33.94218939,
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"energy_above_hull": null,
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"energy_uncorrected": -33.94218939,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.957000Z",
"spacegroup": 187
},
{
"id": "mp-1222918",
"created_at": "2022-09-04T14:47:43.365711Z",
"structure_string": "La1 Ce1 N2\n1.0\n6.077212 -1.821760 0.000000\n6.077212 1.821760 0.000000\n5.531105 0.000000 3.107764\nLa Ce N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Ce\n0.257865 0.257865 0.257865 N\n0.742135 0.742135 0.742135 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Ce",
"N"
],
"chemical_system": "Ce-La-N",
"density": 7.409061889608691,
"density_atomic": 0.05812813849344772,
"volume": 68.8134886764159,
"volume_molar": 10.360112874901066,
"formula_full": "La1 Ce1 N2",
"formula_reduced": "LaCeN2",
"formula_anonymous": "ABC2",
"energy": -33.941603220000005,
"energy_per_atom": -8.485400805000001,
"energy_above_hull": null,
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"energy_uncorrected": -33.21960322,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.743000Z",
"spacegroup": 166
},
{
"id": "mp-3274",
"created_at": "2022-09-04T14:45:39.372248Z",
"structure_string": "Ni2 Ge2 Pd2\n1.0\n3.635228 0.000000 0.000000\n0.000000 3.635228 0.000000\n0.000000 0.000000 6.308372\nNi Ge Pd\n2 2 2\ndirect\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.245217 Ge\n0.000000 0.500000 0.754783 Ge\n0.500000 0.000000 0.639414 Pd\n0.000000 0.500000 0.360586 Pd\n",
"nsites": 6,
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"elements": [
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"Ge",
"Pd"
],
"chemical_system": "Ge-Ni-Pd",
"density": 9.471640903120424,
"density_atomic": 0.07197317232873603,
"volume": 83.36439545272674,
"volume_molar": 8.36720206314374,
"formula_full": "Ni2 Ge2 Pd2",
"formula_reduced": "NiGePd",
"formula_anonymous": "ABC",
"energy": -33.94158592,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:01.478000Z",
"spacegroup": 129
},
{
"id": "mp-998555",
"created_at": "2022-09-04T14:46:41.270193Z",
"structure_string": "In2 Sn2 Br6\n1.0\n7.176225 -4.089162 0.000000\n7.176225 4.089162 0.000000\n4.846135 0.000000 6.688379\nIn Sn Br\n2 2 6\ndirect\n0.705832 0.705832 0.705832 In\n0.205832 0.205832 0.205832 In\n0.002707 0.002707 0.002707 Sn\n0.502707 0.502707 0.502707 Sn\n0.783763 0.141431 0.337769 Br\n0.141431 0.337769 0.783763 Br\n0.337769 0.783763 0.141431 Br\n0.837769 0.641431 0.283763 Br\n0.283763 0.837769 0.641431 Br\n0.641431 0.283763 0.837769 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Sn",
"Br"
],
"chemical_system": "Br-In-Sn",
"density": 4.00386388952432,
"density_atomic": 0.025475268294025313,
"volume": 392.5375734843699,
"volume_molar": 23.639165211117195,
"formula_full": "In2 Sn2 Br6",
"formula_reduced": "InSnBr3",
"formula_anonymous": "ABC3",
"energy": -33.93821434,
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"updated_at": "2021-11-28T01:37:43.882000Z",
"spacegroup": 161
},
{
"id": "mp-1185362",
"created_at": "2022-09-04T14:48:16.510788Z",
"structure_string": "Li1 Gd2 In1\n1.0\n0.000000 3.749474 3.749474\n3.749474 0.000000 3.749474\n3.749474 3.749474 0.000000\nLi Gd In\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Gd-In-Li",
"density": 6.871514418066923,
"density_atomic": 0.0379418896336983,
"volume": 105.42437497491895,
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"formula_full": "Li1 Gd2 In1",
"formula_reduced": "LiGd2In",
"formula_anonymous": "ABC2",
"energy": -33.93656625,
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{
"id": "mp-1186793",
"created_at": "2022-09-04T14:39:19.511753Z",
"structure_string": "Pu2 Sn1 Hg1\n1.0\n0.000000 3.782959 3.782959\n3.782959 0.000000 3.782959\n3.782959 3.782959 0.000000\nPu Sn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pu\n0.750000 0.750000 0.750000 Pu\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Hg\n",
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"density": 12.381097712125378,
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"volume": 108.27417888426119,
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"formula_full": "Pu2 Sn1 Hg1",
"formula_reduced": "Pu2SnHg",
"formula_anonymous": "ABC2",
"energy": -33.93518321,
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"updated_at": "2021-11-28T01:34:25.641000Z",
"spacegroup": 225
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{
"id": "mp-5734",
"created_at": "2022-09-04T14:44:29.185222Z",
"structure_string": "Ce1 Si2 Pt2\n1.0\n-2.103526 2.103526 5.001419\n2.103526 -2.103526 5.001419\n2.103526 2.103526 -5.001419\nCe Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.617975 0.617975 0.000000 Si\n0.382025 0.382025 0.000000 Si\n0.750000 0.250000 0.500000 Pt\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
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"density": 11.001066530725241,
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"volume": 88.52154794110707,
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"formula_full": "Ce1 Si2 Pt2",
"formula_reduced": "Ce(SiPt)2",
"formula_anonymous": "AB2C2",
"energy": -33.93456357,
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"updated_at": "2021-11-28T01:36:41.415000Z",
"spacegroup": 139
},
{
"id": "mp-1219310",
"created_at": "2022-09-04T14:44:22.970129Z",
"structure_string": "Sc2 Ga2 Ni2\n1.0\n-4.128419 0.000000 0.000000\n-2.064210 -3.020563 3.565613\n2.064210 3.296805 3.807235\nSc Ga Ni\n2 2 2\ndirect\n0.746115 0.700988 0.193217 Sc\n0.253885 0.299012 0.806783 Sc\n0.566217 0.260269 0.392703 Ga\n0.433783 0.739731 0.607297 Ga\n0.034774 0.124499 0.194047 Ni\n0.965226 0.875501 0.805953 Ni\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.997308747096969,
"density_atomic": 0.0624955110514042,
"volume": 96.00689552030133,
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"formula_full": "Sc2 Ga2 Ni2",
"formula_reduced": "ScGaNi",
"formula_anonymous": "ABC",
"energy": -33.9274835,
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"updated_at": "2021-11-28T01:36:37.929000Z",
"spacegroup": 12
}
]
}