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{
"id": "mp-1186274",
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{
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{
"id": "mp-852960",
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"structure_string": "Te2 P2 H2 O10\n1.0\n5.421546 0.000000 0.000000\n-0.606443 5.452398 0.000000\n-1.969083 -2.852138 7.001310\nTe P H O\n2 2 2 10\ndirect\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.563088 0.417439 0.226487 P\n0.436912 0.582561 0.773513 P\n0.969665 0.623675 0.337886 H\n0.030335 0.376325 0.662114 H\n0.886819 0.233676 0.717662 O\n0.676252 0.446658 0.362050 O\n0.348845 0.984679 0.660111 O\n0.680292 0.692896 0.057915 O\n0.261855 0.510715 0.150125 O\n0.738145 0.489285 0.849875 O\n0.319709 0.307104 0.942085 O\n0.651155 0.015321 0.339889 O\n0.323748 0.553342 0.637950 O\n0.113181 0.766324 0.282338 O\n",
"nsites": 16,
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"elements": [
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"H",
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"chemical_system": "H-O-P-Te",
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"density_atomic": 0.07730898623688888,
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"formula_full": "Te2 P2 H2 O10",
"formula_reduced": "TePHO5",
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"updated_at": "2021-11-28T01:36:50.200000Z",
"spacegroup": 2
},
{
"id": "mp-864610",
"created_at": "2022-09-04T14:46:36.373503Z",
"structure_string": "Nd2 Mg1 Al1\n1.0\n0.000000 3.793454 3.793454\n3.793454 0.000000 3.793454\n3.793454 3.793454 0.000000\nNd Mg Al\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
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"density": 5.167736416377842,
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{
"id": "mp-1208450",
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"structure_string": "Th2 As3\n1.0\n8.809555 0.000000 0.000000\n0.000000 8.809555 0.000000\n0.000000 0.000000 32.845132\nTh As\n2 3\ndirect\n0.500000 0.500000 0.281916 Th\n0.500000 0.500000 0.718084 Th\n0.500000 0.500000 0.642713 As\n0.500000 0.500000 0.357287 As\n0.500000 0.500000 0.000000 As\n",
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"elements": [
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"chemical_system": "As-Th",
"density": 0.44873410814600356,
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"formula_full": "Th2 As3",
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{
"id": "mp-863698",
"created_at": "2022-09-04T14:44:24.025773Z",
"structure_string": "Pm2 Mg1 Al1\n1.0\n0.000000 3.769791 3.769791\n3.769791 0.000000 3.769791\n3.769791 3.769791 0.000000\nPm Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750000 Pm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
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"density": 5.289156782773553,
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"updated_at": "2021-11-28T01:36:35.511000Z",
"spacegroup": 225
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{
"id": "mp-1078638",
"created_at": "2022-09-04T14:40:12.858396Z",
"structure_string": "Ca8\n1.0\n4.561378 0.000000 0.000000\n0.000000 4.561378 0.000000\n0.000000 0.000000 16.031352\nCa\n8\ndirect\n0.007130 0.483393 0.687587 Ca\n0.992870 0.516607 0.187587 Ca\n0.983393 0.492870 0.437587 Ca\n0.016607 0.507130 0.937587 Ca\n0.516607 0.992870 0.812413 Ca\n0.483393 0.007130 0.312413 Ca\n0.492870 0.983393 0.562413 Ca\n0.507130 0.016607 0.062413 Ca\n",
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"formula_full": "Ca8",
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{
"id": "mp-1186441",
"created_at": "2022-09-04T14:43:05.246215Z",
"structure_string": "Pm2 Al1 Zn1\n1.0\n0.000000 3.690312 3.690312\n3.690312 0.000000 3.690312\n3.690312 3.690312 0.000000\nPm Al Zn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Pm\n0.250000 0.250000 0.250000 Pm\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Zn\n",
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"density": 6.317379744204693,
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{
"id": "mp-866068",
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"structure_string": "Tb1 Mg1 Au2\n1.0\n0.000000 3.487159 3.487159\n3.487159 0.000000 3.487159\n3.487159 3.487159 0.000000\nTb Mg Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "mp-1095896",
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"structure_string": "Y1 Mg1 Pt2\n1.0\n-5.006636 5.906915 8.349174\n5.006636 -5.906915 8.349174\n5.006636 5.906915 -8.349174\nY Mg Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mg\n0.000000 0.257527 0.257527 Pt\n0.000000 0.742473 0.742473 Pt\n",
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{
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"structure_string": "Gd1 Mg1\n1.0\n3.826877 0.000000 0.000000\n0.000000 3.826877 0.000000\n0.000000 0.000000 3.826877\nGd Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "mp-1186689",
"created_at": "2022-09-04T14:40:52.041682Z",
"structure_string": "Pr2 Mg1 Al1\n1.0\n0.000000 3.823671 3.823671\n3.823671 0.000000 3.823671\n3.823671 3.823671 0.000000\nPr Mg Al\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pr\n0.750000 0.750000 0.750000 Pr\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Al\n",
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"updated_at": "2021-11-28T01:35:12.407000Z",
"spacegroup": 225
}
]
}