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{
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"results": [
{
"id": "mp-1039123",
"created_at": "2022-09-04T14:40:14.610031Z",
"structure_string": "Ca2 Zn2\n1.0\n2.596923 -4.498003 0.000000\n2.596923 4.498003 0.000000\n0.000000 0.000000 6.209480\nCa Zn\n2 2\ndirect\n0.333333 0.666667 0.750000 Ca\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.250000 Zn\n0.666667 0.333333 0.750000 Zn\n",
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{
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"structure_string": "La2 Ag1 Hg1\n1.0\n-6.148755 6.256911 8.953198\n6.148755 -6.256911 8.953198\n6.148755 6.256911 -8.953198\nLa Ag Hg\n2 1 1\ndirect\n0.000000 0.250190 0.250190 La\n0.000000 0.749810 0.749810 La\n0.000000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Hg\n",
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"elements": [
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"spacegroup": 71
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{
"id": "mp-23231",
"created_at": "2022-09-04T14:42:48.448871Z",
"structure_string": "Ag1 Br1\n1.0\n0.000000 2.925814 2.925814\n2.925814 0.000000 2.925814\n2.925814 2.925814 0.000000\nAg Br\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Br\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Ag-Br",
"density": 6.224582901346875,
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"volume": 50.0922035521385,
"volume_molar": 15.083115038477503,
"formula_full": "Ag1 Br1",
"formula_reduced": "AgBr",
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"energy": -5.66352725,
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"total_magnetization": 0.0005309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:52.807000Z",
"spacegroup": 225
},
{
"id": "mp-1186965",
"created_at": "2022-09-04T14:39:47.460516Z",
"structure_string": "Rb3 Ce1\n1.0\n7.475373 0.000000 0.000000\n0.000000 7.475373 0.000000\n0.000000 0.000000 7.475373\nRb Ce\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ce\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ce-Rb",
"density": 1.5762131085807403,
"density_atomic": 0.009575498410328145,
"volume": 417.73282481939475,
"volume_molar": 62.89114677837042,
"formula_full": "Rb3 Ce1",
"formula_reduced": "Rb3Ce",
"formula_anonymous": "AB3",
"energy": -5.66302931,
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"updated_at": "2021-11-28T01:34:43.569000Z",
"spacegroup": 221
},
{
"id": "mp-985605",
"created_at": "2022-09-04T14:46:36.472400Z",
"structure_string": "Cs3 Ni1\n1.0\n-3.218144 3.218144 6.056173\n3.218144 -3.218144 6.056173\n3.218144 3.218144 -6.056173\nCs Ni\n3 1\ndirect\n0.750000 0.250000 0.500000 Cs\n0.250000 0.750000 0.500000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cs-Ni",
"density": 3.0275080737565454,
"density_atomic": 0.01594376119118615,
"volume": 250.8818309578818,
"volume_molar": 37.77114250387224,
"formula_full": "Cs3 Ni1",
"formula_reduced": "Cs3Ni",
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"updated_at": "2021-11-28T01:37:39.932000Z",
"spacegroup": 139
},
{
"id": "mp-1184834",
"created_at": "2022-09-04T14:41:46.473565Z",
"structure_string": "K3 Ga1\n1.0\n5.723655 0.000000 0.000000\n0.000000 5.723655 0.000000\n0.000000 0.000000 5.723655\nK Ga\n3 1\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
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"elements": [
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"Ga"
],
"chemical_system": "Ga-K",
"density": 1.65619675240348,
"density_atomic": 0.02133239646616794,
"volume": 187.50823454569624,
"volume_molar": 28.230024552331937,
"formula_full": "K3 Ga1",
"formula_reduced": "K3Ga",
"formula_anonymous": "AB3",
"energy": -5.66097962,
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"energy_uncorrected": -5.66097962,
"band_gap": 0.0,
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"total_magnetization": 0.005156,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.166000Z",
"spacegroup": 221
},
{
"id": "mp-1095849",
"created_at": "2022-09-04T14:46:30.081830Z",
"structure_string": "La1 Y1 Zn2\n1.0\n-5.903820 5.986498 8.378115\n5.903820 -5.986498 8.378115\n5.903820 5.986498 -8.378115\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.752682 0.000000 0.752682 Zn\n0.247318 0.000000 0.247318 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
"chemical_system": "La-Y-Zn",
"density": 0.5027853697268098,
"density_atomic": 0.0033771296441795105,
"volume": 1184.4377982035744,
"volume_molar": 178.32127855616,
"formula_full": "La1 Y1 Zn2",
"formula_reduced": "LaYZn2",
"formula_anonymous": "ABC2",
"energy": -5.65735476,
"energy_per_atom": -1.41433869,
"energy_above_hull": null,
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"energy_uncorrected": -5.65735476,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:35.617000Z",
"spacegroup": 71
},
{
"id": "mp-1205873",
"created_at": "2022-09-04T14:42:08.274408Z",
"structure_string": "Mg2 Hg6\n1.0\n2.540731 -4.400675 0.000000\n2.540731 4.400675 0.000000\n0.000000 0.000000 9.066713\nMg Hg\n2 6\ndirect\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n0.333333 0.666667 0.573997 Hg\n0.666667 0.333333 0.426003 Hg\n0.666667 0.333333 0.073997 Hg\n0.333333 0.666667 0.926003 Hg\n0.000000 0.000000 0.250000 Hg\n0.000000 0.000000 0.750000 Hg\n",
"nsites": 8,
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Mg",
"density": 10.255282028775238,
"density_atomic": 0.03945773393419342,
"volume": 202.74859203374913,
"volume_molar": 15.26225700148815,
"formula_full": "Mg2 Hg6",
"formula_reduced": "MgHg3",
"formula_anonymous": "AB3",
"energy": -5.65540184,
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"updated_at": "2021-11-28T01:35:45.202000Z",
"spacegroup": 194
},
{
"id": "mp-1228677",
"created_at": "2022-09-04T14:43:24.947112Z",
"structure_string": "Au1 Cl1\n1.0\n-2.248431 2.710159 -2.857094\n2.248431 -2.647168 -2.746518\n-2.248431 -2.647168 -2.746518\nAu Cl\n1 1\ndirect\n0.003874 0.103116 0.099242 Au\n0.056126 0.706884 0.650758 Cl\n",
"nsites": 2,
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"elements": [
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"density": 5.719088122615026,
"density_atomic": 0.029637051521366475,
"volume": 67.48309623709106,
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"formula_full": "Au1 Cl1",
"formula_reduced": "AuCl",
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"energy": -5.65457975,
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"energy_above_hull": null,
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"total_magnetization": 7.08e-05,
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"updated_at": "2021-11-28T01:36:15.824000Z",
"spacegroup": 8
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{
"id": "mp-865814",
"created_at": "2022-09-04T14:41:07.922965Z",
"structure_string": "Yb1 Mg1 Hg2\n1.0\n0.000000 3.614938 3.614938\n3.614938 0.000000 3.614938\n3.614938 3.614938 0.000000\nYb Mg Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Mg\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"density": 10.519590588603611,
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"volume": 94.47840545367588,
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"formula_full": "Yb1 Mg1 Hg2",
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"updated_at": "2021-11-28T01:35:15.766000Z",
"spacegroup": 225
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{
"id": "mp-10597",
"created_at": "2022-09-04T14:46:42.507441Z",
"structure_string": "Ag2\n1.0\n1.476324 -2.557068 0.000000\n1.476324 2.557068 0.000000\n0.000000 0.000000 4.798321\nAg\n2\ndirect\n0.333333 0.666667 0.250000 Ag\n0.666667 0.333333 0.750000 Ag\n",
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"density": 9.888473947036914,
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"volume": 36.22790758274593,
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"updated_at": "2021-11-28T01:37:47.726000Z",
"spacegroup": 194
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{
"id": "mp-1097424",
"created_at": "2022-09-04T14:46:25.142375Z",
"structure_string": "Y1 Zn2 Ag1\n1.0\n-5.736728 5.890208 8.199925\n5.736728 -5.890208 8.199925\n5.736728 5.890208 -8.199925\nY Zn Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.275217 0.275217 Zn\n0.000000 0.724783 0.724783 Zn\n0.000000 0.500000 0.500000 Ag\n",
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"volume": 1108.3189568727594,
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"formula_full": "Y1 Zn2 Ag1",
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"energy": -5.64694633,
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"updated_at": "2021-11-28T01:37:36.109000Z",
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}
]
}