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{
"id": "mp-998391",
"created_at": "2022-09-04T14:40:18.842693Z",
"structure_string": "Rb1 Tl1 Br3\n1.0\n4.126982 4.126446 0.000000\n-4.126982 4.126446 0.000000\n0.000000 0.004884 5.833032\nRb Tl Br\n1 1 3\ndirect\n0.997365 0.997365 0.001114 Rb\n0.495263 0.495263 0.517228 Tl\n0.999310 0.495774 0.514676 Br\n0.508694 0.508694 0.015967 Br\n0.495774 0.999310 0.514676 Br\n",
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{
"id": "mp-1187289",
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"structure_string": "Sr3 Eu1\n1.0\n-2.987545 2.987545 5.949094\n2.987545 -2.987545 5.949094\n2.987545 2.987545 -5.949094\nSr Eu\n3 1\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Eu-Sr",
"density": 3.2431963214217245,
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"volume": 212.39277228253462,
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"formula_full": "Sr3 Eu1",
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"updated_at": "2021-11-28T01:38:07.674000Z",
"spacegroup": 139
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{
"id": "mp-1187067",
"created_at": "2022-09-04T14:48:08.257833Z",
"structure_string": "Sn3 Te1\n1.0\n4.865622 0.000000 0.000000\n0.000000 4.865622 0.000000\n0.000000 0.000000 4.865622\nSn Te\n3 1\ndirect\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.000000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Te\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Sn-Te",
"density": 6.973278658780227,
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"volume": 115.19008517966263,
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"formula_full": "Sn3 Te1",
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"updated_at": "2021-11-28T01:38:26.103000Z",
"spacegroup": 221
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{
"id": "mp-973636",
"created_at": "2022-09-04T14:39:28.647868Z",
"structure_string": "Lu2 Zn1 Ga1\n1.0\n0.000000 3.493224 3.493224\n3.493224 0.000000 3.493224\n3.493224 3.493224 0.000000\nLu Zn Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Ga\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ga-Lu-Zn",
"density": 9.448016224033845,
"density_atomic": 0.04691920985891239,
"volume": 85.2529275754671,
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"formula_full": "Lu2 Zn1 Ga1",
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"updated_at": "2021-11-28T01:34:24.738000Z",
"spacegroup": 225
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{
"id": "mp-1187222",
"created_at": "2022-09-04T14:44:05.498571Z",
"structure_string": "Sr3 Eu1\n1.0\n5.982964 0.000000 0.000000\n0.000000 5.982964 0.000000\n0.000000 0.000000 5.982964\nSr Eu\n3 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Eu\n",
"nsites": 4,
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"elements": [
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"density": 3.2163537122920367,
"density_atomic": 0.018677159273392873,
"volume": 214.16533111104985,
"volume_molar": 32.24334424656873,
"formula_full": "Sr3 Eu1",
"formula_reduced": "Sr3Eu",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:36:29.166000Z",
"spacegroup": 221
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{
"id": "mp-980426",
"created_at": "2022-09-04T14:46:58.793239Z",
"structure_string": "Tm1 Al1 Ag2\n1.0\n0.000000 3.394857 3.394857\n3.394857 0.000000 3.394857\n3.394857 3.394857 0.000000\nTm Al Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Al\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750000 0.750000 Ag\n",
"nsites": 4,
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"elements": [
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"Al",
"Ag"
],
"chemical_system": "Ag-Al-Tm",
"density": 8.73544496840805,
"density_atomic": 0.05111702139592968,
"volume": 78.25182083709028,
"volume_molar": 11.781086995181468,
"formula_full": "Tm1 Al1 Ag2",
"formula_reduced": "TmAlAg2",
"formula_anonymous": "ABC2",
"energy": -15.22357114,
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"updated_at": "2021-11-28T01:37:44.101000Z",
"spacegroup": 225
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{
"id": "mp-631580",
"created_at": "2022-09-04T14:43:20.228664Z",
"structure_string": "B1 Pd2 Br1\n1.0\n0.000000 3.159354 3.159354\n3.159354 0.000000 3.159354\n3.159354 3.159354 0.000000\nB Pd Br\n1 2 1\ndirect\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 Pd\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"density": 7.99211309473204,
"density_atomic": 0.06342129767975903,
"volume": 63.07029572617219,
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"formula_full": "B1 Pd2 Br1",
"formula_reduced": "BPd2Br",
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"updated_at": "2021-11-28T01:36:10.640000Z",
"spacegroup": 216
},
{
"id": "mp-1207695",
"created_at": "2022-09-04T14:42:29.358214Z",
"structure_string": "Tm1 S1 I1\n1.0\n2.237060 -3.874701 0.000000\n2.237060 3.874701 0.000000\n0.000000 0.000000 5.110514\nTm S I\n1 1 1\ndirect\n0.333333 0.666667 0.000000 Tm\n0.000000 0.000000 0.000000 S\n0.666667 0.333333 0.500000 I\n",
"nsites": 3,
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"elements": [
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"density": 6.145892829798269,
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"volume": 88.59524332769361,
"volume_molar": 17.78443419952739,
"formula_full": "Tm1 S1 I1",
"formula_reduced": "TmSI",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:35:53.341000Z",
"spacegroup": 187
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{
"id": "mp-1187007",
"created_at": "2022-09-04T14:44:30.642086Z",
"structure_string": "Si1 Pb3\n1.0\n-2.406713 2.406713 4.884570\n2.406713 -2.406713 4.884570\n2.406713 2.406713 -4.884570\nSi Pb\n1 3\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Pb\n0.250000 0.750000 0.500000 Pb\n0.500000 0.500000 0.000000 Pb\n",
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"volume": 113.17094355373155,
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"formula_full": "Si1 Pb3",
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{
"id": "mp-1185101",
"created_at": "2022-09-04T14:48:17.590622Z",
"structure_string": "La1 Y1 Zn2\n1.0\n0.000000 3.682143 3.682143\n3.682143 0.000000 3.682143\n3.682143 3.682143 0.000000\nLa Y Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
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"created_at": "2022-09-04T14:41:27.527592Z",
"structure_string": "Cu1 O2\n1.0\n0.000000 3.631179 5.745884\n1.373103 0.000000 5.745884\n1.373103 3.631179 0.000000\nCu O\n1 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.102120 0.102120 0.897880 O\n0.897880 0.897880 0.102120 O\n",
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]
}