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{
"id": "mp-1181264",
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"structure_string": "Ge1 Te1\n1.0\n6.691573 7.305897 0.000000\n-6.691573 7.305897 0.000000\n0.000000 1.751909 5.685961\nGe Te\n1 1\ndirect\n0.006316 0.006316 0.972151 Ge\n0.951684 0.951684 0.632849 Te\n",
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{
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{
"id": "mp-1186034",
"created_at": "2022-09-04T14:44:10.741140Z",
"structure_string": "Na3 Ag1\n1.0\n-2.499283 2.499283 4.342433\n2.499283 -2.499283 4.342433\n2.499283 2.499283 -4.342433\nNa Ag\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 Ag\n",
"nsites": 4,
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"volume": 108.49856344036816,
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"formula_full": "Na3 Ag1",
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"band_gap": 0.0,
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"total_magnetization": 7.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:29.854000Z",
"spacegroup": 139
},
{
"id": "mp-23167",
"created_at": "2022-09-04T14:47:20.947199Z",
"structure_string": "Tl1 Cl1\n1.0\n3.900812 0.000000 0.000000\n0.000000 3.900812 0.000000\n0.000000 0.000000 3.900812\nTl Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Cl\n",
"nsites": 2,
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"elements": [
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"density": 6.709635892345644,
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"volume": 59.3560592748602,
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"formula_full": "Tl1 Cl1",
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"formula_anonymous": "AB",
"energy": -6.7654477,
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"energy_above_hull": null,
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"energy_uncorrected": -6.1514477,
"band_gap": 2.1732,
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"updated_at": "2021-11-28T01:38:07.145000Z",
"spacegroup": 221
},
{
"id": "mp-684609",
"created_at": "2022-09-04T14:41:21.275682Z",
"structure_string": "H1 Cl1\n1.0\n-2.125369 2.171904 2.874181\n2.125369 -2.171904 2.874181\n2.125369 2.171904 -2.874181\nH Cl\n1 1\ndirect\n0.313476 0.000000 0.313476 H\n0.018524 0.000000 0.018524 Cl\n",
"nsites": 2,
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"elements": [
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"density": 1.1408482645106668,
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"volume": 53.06999813943489,
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"formula_full": "H1 Cl1",
"formula_reduced": "HCl",
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"energy": -6.76555958,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:28.506000Z",
"spacegroup": 44
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{
"id": "mp-32880",
"created_at": "2022-09-04T14:40:33.966108Z",
"structure_string": "Cu1 Br1\n1.0\n-2.047538 2.047538 2.766344\n2.047538 -2.047538 2.766344\n2.047538 2.047538 -2.766344\nCu Br\n1 1\ndirect\n0.250000 0.750000 0.500000 Cu\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Br-Cu",
"density": 5.134752715060553,
"density_atomic": 0.043112169576260545,
"volume": 46.39061359373776,
"volume_molar": 13.968540250212913,
"formula_full": "Cu1 Br1",
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"band_gap": 0.4449000000000001,
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"updated_at": "2021-11-28T01:35:00.362000Z",
"spacegroup": 119
},
{
"id": "mp-1186017",
"created_at": "2022-09-04T14:43:12.309514Z",
"structure_string": "Na3 Ag1\n1.0\n0.000000 3.800754 3.800754\n3.800754 0.000000 3.800754\n3.800754 3.800754 0.000000\nNa Ag\n3 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ag-Na",
"density": 2.674140391737256,
"density_atomic": 0.03642677405560188,
"volume": 109.80933952302212,
"volume_molar": 16.53218248425676,
"formula_full": "Na3 Ag1",
"formula_reduced": "Na3Ag",
"formula_anonymous": "AB3",
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"energy_uncorrected": -6.76964656,
"band_gap": 0.0,
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"total_magnetization": 0.0102912,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.559000Z",
"spacegroup": 225
},
{
"id": "mp-22913",
"created_at": "2022-09-04T14:39:05.459960Z",
"structure_string": "Cu1 Br1\n1.0\n0.000000 2.849508 2.849508\n2.849508 0.000000 2.849508\n2.849508 2.849508 0.000000\nCu Br\n1 1\ndirect\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Br"
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"chemical_system": "Br-Cu",
"density": 5.147661876586553,
"density_atomic": 0.04322055687194547,
"volume": 46.274276519056215,
"volume_molar": 13.93351033824597,
"formula_full": "Cu1 Br1",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -6.771377429999999,
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"updated_at": "2021-11-28T01:34:44.084000Z",
"spacegroup": 216
},
{
"id": "mp-1184758",
"created_at": "2022-09-04T14:44:17.311557Z",
"structure_string": "K2 Hg1 Au1\n1.0\n0.000000 4.120249 4.120249\n4.120249 0.000000 4.120249\n4.120249 4.120249 0.000000\nK Hg Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Au\n",
"nsites": 4,
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"elements": [
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"Hg",
"Au"
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"chemical_system": "Au-Hg-K",
"density": 5.6471640434835475,
"density_atomic": 0.02859299232659121,
"volume": 139.89441728629563,
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"formula_full": "K2 Hg1 Au1",
"formula_reduced": "K2HgAu",
"formula_anonymous": "ABC2",
"energy": -6.77533646,
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"updated_at": "2021-11-28T01:36:43.538000Z",
"spacegroup": 225
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{
"id": "mp-974997",
"created_at": "2022-09-04T14:42:53.332392Z",
"structure_string": "Rb3 Ge1\n1.0\n-3.127845 3.127845 4.830187\n3.127845 -3.127845 4.830187\n3.127845 3.127845 -4.830187\nRb Ge\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"density": 2.890599335312197,
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"volume": 189.02288312049234,
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"formula_full": "Rb3 Ge1",
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"updated_at": "2021-11-28T01:35:54.733000Z",
"spacegroup": 139
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{
"id": "mp-850274",
"created_at": "2022-09-04T14:41:05.696555Z",
"structure_string": "H2\n1.0\n-1.820480 1.820480 1.719522\n1.820480 -1.820480 1.719522\n1.820480 1.820480 -1.719522\nH\n2\ndirect\n0.109061 0.109061 0.000000 H\n0.890939 0.890939 0.000000 H\n",
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{
"id": "mp-1096577",
"created_at": "2022-09-04T14:43:03.476110Z",
"structure_string": "Li2 Ag1 Ge1\n1.0\n-5.204153 5.482518 7.755558\n5.204153 -5.482518 7.755558\n5.204153 5.482518 -7.755558\nLi Ag Ge\n2 1 1\ndirect\n0.000000 0.251817 0.251817 Li\n0.000000 0.748183 0.748183 Li\n0.000000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"volume": 885.1220577819129,
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"formula_full": "Li2 Ag1 Ge1",
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"updated_at": "2021-11-28T01:35:56.191000Z",
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}