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{
"id": "mp-1184296",
"created_at": "2022-09-04T14:43:52.820402Z",
"structure_string": "Ga3 Au1\n1.0\n-2.118458 2.118458 4.105822\n2.118458 -2.118458 4.105822\n2.118458 2.118458 -4.105822\nGa Au\n3 1\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Au\n",
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{
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{
"id": "mp-865900",
"created_at": "2022-09-04T14:40:30.499161Z",
"structure_string": "Ti3 Tl1\n1.0\n-2.039748 2.039748 4.428702\n2.039748 -2.039748 4.428702\n2.039748 2.039748 -4.428702\nTi Tl\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Tl\n",
"nsites": 4,
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"chemical_system": "Ti-Tl",
"density": 7.840057831234498,
"density_atomic": 0.054271335623533125,
"volume": 73.70373244076788,
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"formula_full": "Ti3 Tl1",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:35:02.239000Z",
"spacegroup": 139
},
{
"id": "mp-976229",
"created_at": "2022-09-04T14:40:06.839243Z",
"structure_string": "K1 Ag1 O3\n1.0\n4.192631 0.000000 0.000000\n0.000000 4.192631 0.000000\n0.000000 0.000000 4.192631\nK Ag O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"Ag",
"O"
],
"chemical_system": "Ag-K-O",
"density": 4.392837719467964,
"density_atomic": 0.06784378682811687,
"volume": 73.698716327076,
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"formula_full": "K1 Ag1 O3",
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"formula_anonymous": "ABC3",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:49.013000Z",
"spacegroup": 221
},
{
"id": "mp-1094865",
"created_at": "2022-09-04T14:46:04.260338Z",
"structure_string": "Mg1 Ti3\n1.0\n1.479111 -2.561895 0.000000\n1.479111 2.561895 0.000000\n0.000000 0.000000 9.724260\nMg Ti\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Ti\n0.000000 0.000000 0.767346 Ti\n0.000000 0.000000 0.232654 Ti\n",
"nsites": 4,
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"elements": [
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"density": 3.7832641255842177,
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"volume": 73.69680341138873,
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"formula_full": "Mg1 Ti3",
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"band_gap": 0.0,
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"total_magnetization": 0.0009199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.666000Z",
"spacegroup": 187
},
{
"id": "mp-568654",
"created_at": "2022-09-04T14:39:28.507235Z",
"structure_string": "Pr1 Ag2\n1.0\n2.423248 -4.197189 0.000000\n2.423248 4.197189 0.000000\n0.000000 0.000000 3.622650\nPr Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n",
"nsites": 3,
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"elements": [
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"Ag"
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"density": 8.036580861777246,
"density_atomic": 0.040710692800401245,
"volume": 73.69071351127761,
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"formula_full": "Pr1 Ag2",
"formula_reduced": "PrAg2",
"formula_anonymous": "AB2",
"energy": -11.2624714,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:27.862000Z",
"spacegroup": 191
},
{
"id": "mp-865304",
"created_at": "2022-09-04T14:44:52.773630Z",
"structure_string": "Tm2 Co1 Ru1\n1.0\n0.000000 3.327527 3.327527\n3.327527 0.000000 3.327527\n3.327527 3.327527 0.000000\nTm Co Ru\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Co",
"Ru"
],
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"density": 11.219453533497957,
"density_atomic": 0.054283173747395205,
"volume": 73.68765906381701,
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"formula_full": "Tm2 Co1 Ru1",
"formula_reduced": "Tm2CoRu",
"formula_anonymous": "ABC2",
"energy": -26.71082067,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.707000Z",
"spacegroup": 225
},
{
"id": "mp-754100",
"created_at": "2022-09-04T14:40:59.652590Z",
"structure_string": "Li2 Fe1 Cu1 O4\n1.0\n2.966927 0.000000 0.000000\n0.000000 5.109906 0.000000\n0.000000 1.714576 4.859658\nLi Fe Cu O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Cu\n0.000000 0.756705 0.733058 O\n0.500000 0.253833 0.731540 O\n0.000000 0.243295 0.266942 O\n0.500000 0.746167 0.268460 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
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"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-Li-O",
"density": 4.4461691844372435,
"density_atomic": 0.10858366804058386,
"volume": 73.67590489768634,
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"formula_full": "Li2 Fe1 Cu1 O4",
"formula_reduced": "Li2FeCuO4",
"formula_anonymous": "ABC2D4",
"energy": -49.42112158,
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"updated_at": "2021-11-28T01:35:08.463000Z",
"spacegroup": 10
},
{
"id": "mp-973536",
"created_at": "2022-09-04T14:39:59.126788Z",
"structure_string": "Lu1 U1 O3\n1.0\n4.192118 0.000000 0.000000\n0.000000 4.192118 0.000000\n0.000000 0.000000 4.192118\nLu U O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
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"elements": [
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"density": 10.390680186641083,
"density_atomic": 0.06786869651948477,
"volume": 73.67166685696586,
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"formula_full": "Lu1 U1 O3",
"formula_reduced": "LuUO3",
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"energy": -45.90297068,
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"updated_at": "2021-11-28T01:34:41.744000Z",
"spacegroup": 221
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{
"id": "mp-10225",
"created_at": "2022-09-04T14:45:26.011986Z",
"structure_string": "Na1 V1 S2\n1.0\n6.747370 -1.785810 0.000000\n6.747370 1.785810 0.000000\n6.274724 0.000000 3.056789\nNa V S\n1 1 2\ndirect\n0.166212 0.166212 0.166212 Na\n0.997757 0.997757 0.997757 V\n0.597725 0.597725 0.597725 S\n0.398306 0.398306 0.398306 S\n",
"nsites": 4,
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"density": 3.112115634275102,
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"volume": 73.66568539385989,
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"formula_full": "Na1 V1 S2",
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"updated_at": "2021-11-28T01:36:54.863000Z",
"spacegroup": 160
},
{
"id": "mp-23954",
"created_at": "2022-09-04T14:39:42.340502Z",
"structure_string": "Na2 H2 Pd1\n1.0\n-1.794774 1.794774 5.717192\n1.794774 -1.794774 5.717192\n1.794774 1.794774 -5.717192\nNa H Pd\n2 2 1\ndirect\n0.639836 0.639836 0.000000 Na\n0.360164 0.360164 0.000000 Na\n0.851308 0.851308 0.000000 H\n0.148692 0.148692 0.000000 H\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "mp-1184292",
"created_at": "2022-09-04T14:39:24.671812Z",
"structure_string": "Ga3 P1\n1.0\n-1.883037 1.883037 5.193060\n1.883037 -1.883037 5.193060\n1.883037 1.883037 -5.193060\nGa P\n3 1\ndirect\n0.750000 0.250000 0.500000 Ga\n0.250000 0.750000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 P\n",
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"elements": [
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"density": 5.413991379029196,
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"volume": 73.65479734726328,
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"updated_at": "2021-11-28T01:34:30.122000Z",
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}
]
}