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{
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"results": [
{
"id": "mp-1093963",
"created_at": "2022-09-04T14:48:24.083077Z",
"structure_string": "Na2 Hg1 Sb1\n1.0\n-6.068814 6.096222 8.622665\n6.068814 -6.096222 8.622665\n6.068814 6.096222 -8.622665\nNa Hg Sb\n2 1 1\ndirect\n0.240799 0.000000 0.240799 Na\n0.759201 0.000000 0.759201 Na\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n",
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{
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"structure_string": "Na3 Zn1\n1.0\n-2.409551 2.409551 5.016157\n2.409551 -2.409551 5.016157\n2.409551 2.409551 -5.016157\nNa Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Zn\n",
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"updated_at": "2021-11-28T01:37:58.845000Z",
"spacegroup": 139
},
{
"id": "mp-1186094",
"created_at": "2022-09-04T14:41:51.769502Z",
"structure_string": "Na3 Zn1\n1.0\n4.861701 0.000000 0.000000\n0.000000 4.861701 0.000000\n0.000000 0.000000 4.861701\nNa Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
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"volume": 114.91182900950825,
"volume_molar": 17.30038023210775,
"formula_full": "Na3 Zn1",
"formula_reduced": "Na3Zn",
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"band_gap": 0.0,
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"total_magnetization": 0.0013824,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.521000Z",
"spacegroup": 221
},
{
"id": "mp-1058798",
"created_at": "2022-09-04T14:40:16.747240Z",
"structure_string": "Li1 Be1\n1.0\n2.811153 0.000000 0.000000\n0.000000 2.811153 0.000000\n0.000000 0.000000 2.811153\nLi Be\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Be\n",
"nsites": 2,
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"elements": [
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],
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"density": 1.1924576600109447,
"density_atomic": 0.09002778105844694,
"volume": 22.21536481835068,
"volume_molar": 6.689202698542981,
"formula_full": "Li1 Be1",
"formula_reduced": "LiBe",
"formula_anonymous": "AB",
"energy": -4.91636887,
"energy_per_atom": -2.458184435,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:53.534000Z",
"spacegroup": 221
},
{
"id": "mp-2434",
"created_at": "2022-09-04T14:44:19.439744Z",
"structure_string": "Sr1 Tl1\n1.0\n4.116750 0.000000 0.000000\n0.000000 4.116750 0.000000\n0.000000 0.000000 4.116750\nSr Tl\n1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Sr-Tl",
"density": 6.9498170868687685,
"density_atomic": 0.028665961492791558,
"volume": 69.76915811817186,
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"formula_full": "Sr1 Tl1",
"formula_reduced": "SrTl",
"formula_anonymous": "AB",
"energy": -4.91307587,
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"updated_at": "2021-11-28T01:36:39.424000Z",
"spacegroup": 221
},
{
"id": "mp-974748",
"created_at": "2022-09-04T14:42:52.784329Z",
"structure_string": "Rb3 Tm1\n1.0\n0.000000 5.091636 5.091636\n5.091636 0.000000 5.091636\n5.091636 5.091636 0.000000\nRb Tm\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tm\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Rb-Tm",
"density": 2.675351457445288,
"density_atomic": 0.01515158094274749,
"volume": 263.9988536585454,
"volume_molar": 39.74595643026004,
"formula_full": "Rb3 Tm1",
"formula_reduced": "Rb3Tm",
"formula_anonymous": "AB3",
"energy": -4.9115126,
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"energy_uncorrected": -4.9115126,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.960000Z",
"spacegroup": 225
},
{
"id": "mp-1096151",
"created_at": "2022-09-04T14:45:58.259047Z",
"structure_string": "Ca2 Zn1 Ge1\n1.0\n-6.037976 6.055190 8.543541\n6.037976 -6.055190 8.543541\n6.037976 6.055190 -8.543541\nCa Zn Ge\n2 1 1\ndirect\n0.000000 0.267671 0.267671 Ca\n0.000000 0.732329 0.732329 Ca\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n",
"nsites": 4,
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"elements": [
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"Zn",
"Ge"
],
"chemical_system": "Ca-Ge-Zn",
"density": 0.2899991591431639,
"density_atomic": 0.0032014220705213862,
"volume": 1249.444750453837,
"volume_molar": 188.10830397690202,
"formula_full": "Ca2 Zn1 Ge1",
"formula_reduced": "Ca2ZnGe",
"formula_anonymous": "ABC2",
"energy": -4.90873311,
"energy_per_atom": -1.2271832775,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -4.90873311,
"band_gap": 0.0057,
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"updated_at": "2021-11-28T01:37:09.823000Z",
"spacegroup": 71
},
{
"id": "mp-1014212",
"created_at": "2022-09-04T14:40:19.364987Z",
"structure_string": "Si1\n1.0\n-1.545834 1.545834 1.545834\n1.545834 -1.545834 1.545834\n1.545834 1.545834 -1.545834\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
"nsites": 1,
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"elements": [
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"density": 3.156332160571929,
"density_atomic": 0.06767861196292675,
"volume": 14.775716744128614,
"volume_molar": 8.898144606303141,
"formula_full": "Si1",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -4.89982253,
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"energy_above_hull": null,
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"total_magnetization": 5.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.452000Z",
"spacegroup": 229
},
{
"id": "mp-1039029",
"created_at": "2022-09-04T14:43:57.962952Z",
"structure_string": "Mg2 Cd4\n1.0\n6.663442 0.000000 0.000000\n0.000000 6.663442 0.000000\n0.000000 0.000000 4.444980\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.300790 0.300790 0.000000 Cd\n0.699210 0.699210 0.000000 Cd\n0.199210 0.800790 0.500000 Cd\n0.800790 0.199210 0.500000 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.192111607027285,
"density_atomic": 0.03040074281937214,
"volume": 197.36359850314724,
"volume_molar": 19.8091895181013,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -4.89557103,
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"updated_at": "2021-11-28T01:36:12.320000Z",
"spacegroup": 136
},
{
"id": "mp-1096691",
"created_at": "2022-09-04T14:40:35.164309Z",
"structure_string": "Sr2 Tl1 Pb1\n1.0\n-6.598010 6.922155 9.791845\n6.598010 -6.922155 9.791845\n6.598010 6.922155 -9.791845\nSr Tl Pb\n2 1 1\ndirect\n0.000000 0.251413 0.251413 Sr\n0.000000 0.748587 0.748587 Sr\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
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"elements": [
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"density": 0.5447254120781533,
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"volume": 1788.8701228818854,
"volume_molar": 269.32069203383026,
"formula_full": "Sr2 Tl1 Pb1",
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"formula_anonymous": "ABC2",
"energy": -4.89380767,
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"updated_at": "2021-11-28T01:35:03.422000Z",
"spacegroup": 71
},
{
"id": "mp-27",
"created_at": "2022-09-04T14:44:12.933126Z",
"structure_string": "Si1\n1.0\n0.000000 1.934742 1.934742\n1.934742 0.000000 1.934742\n1.934742 1.934742 0.000000\nSi\n1\ndirect\n0.000000 0.000000 0.000000 Si\n",
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"volume": 14.484355462473692,
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"formula_full": "Si1",
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"updated_at": "2021-11-28T01:36:31.560000Z",
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{
"id": "mp-1094883",
"created_at": "2022-09-04T14:39:12.082046Z",
"structure_string": "Mg1 Ga1\n1.0\n3.111251 0.000000 0.000000\n0.000000 3.111251 0.000000\n0.000000 0.000000 3.983411\nMg Ga\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
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"density": 4.049310497801024,
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"volume": 38.55895156448363,
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"formula_full": "Mg1 Ga1",
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"updated_at": "2021-11-28T01:34:35.059000Z",
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]
}