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{
"id": "jvasp-120363",
"created_at": "2022-09-04T14:38:48.385491Z",
"updated_at": "2022-09-04T14:38:48.385517Z",
"structure_string": "Na1 Se2\n1.0\n4.735678 0.047814 0.718733\n-0.022725 -3.827136 0.399754\n-0.206584 -0.445266 -4.264554\nNa Se\n1 2\ndirect\n0.105258 0.895290 0.059732 Na\n0.367626 0.395391 0.667767 Se\n0.843624 0.395199 0.452124 Se\n",
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{
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"created_at": "2022-09-04T14:38:39.365512Z",
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"structure_string": "Tm2 Al2 Cu2\n1.0\n4.634483 -0.025901 -2.571037\n-1.612808 4.326935 -2.601118\n0.036214 0.025901 5.299750\nTm Al Cu\n2 2 2\ndirect\n0.127768 0.877769 0.250000 Tm\n0.872231 0.122232 0.749999 Tm\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500001 -0.000000 Al\n0.500000 0.000000 -0.000000 Cu\n0.499999 0.500001 0.499999 Cu\n",
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{
"id": "jvasp-99824",
"created_at": "2022-09-04T14:36:36.448361Z",
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"structure_string": "Na1 Pm2 Sn1\n1.0\n4.695757 -0.000000 2.711096\n1.565253 4.427202 2.711096\n0.000000 0.000000 5.422193\nNa Pm Sn\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750001 Pm\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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"density": 6.359470973955124,
"density_atomic": 0.035485429553414556,
"volume": 112.72232153704064,
"volume_molar": 16.97074217725096,
"formula_full": "Na1 Pm2 Sn1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-74853",
"created_at": "2022-09-04T14:35:53.504221Z",
"updated_at": "2022-09-04T14:35:53.504247Z",
"structure_string": "Be1 Sn1 Cl2\n1.0\n4.630608 0.000000 0.000000\n0.000000 4.630608 0.000000\n0.000000 0.000000 4.154580\nBe Sn Cl\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Sn\n0.500000 0.000000 0.000000 Cl\n0.000000 0.500000 0.000000 Cl\n",
"nsites": 4,
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"elements": [
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"Sn",
"Cl"
],
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"density": 3.702429550117246,
"density_atomic": 0.04490108440401422,
"volume": 89.08470815556505,
"volume_molar": 13.412016301908318,
"formula_full": "Be1 Sn1 Cl2",
"formula_reduced": "BeSnCl2",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-18628",
"created_at": "2022-09-04T14:36:34.880414Z",
"updated_at": "2022-09-04T14:36:34.880430Z",
"structure_string": "Ba1 Sn3 Pt1\n1.0\n4.620338 0.000000 -1.854124\n-0.744053 4.560034 -1.854124\n-0.023495 -0.027639 6.625282\nBa Sn Pt\n1 3 1\ndirect\n0.002254 0.002254 0.004510 Ba\n0.753080 0.253079 0.506159 Sn\n0.253080 0.753079 0.506159 Sn\n0.416746 0.416746 0.833493 Sn\n0.653940 0.653939 0.307881 Pt\n",
"nsites": 5,
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"elements": [
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"Sn",
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"density": 8.218802783424199,
"density_atomic": 0.03594178651493859,
"volume": 139.11384170961662,
"volume_molar": 16.755262728793408,
"formula_full": "Ba1 Sn3 Pt1",
"formula_reduced": "BaSn3Pt",
"formula_anonymous": "ABC3",
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"spacegroup": 107
},
{
"id": "jvasp-105835",
"created_at": "2022-09-04T14:35:58.852315Z",
"updated_at": "2022-09-04T14:35:58.852335Z",
"structure_string": "Pm2 In1 Sn1\n1.0\n4.704550 -0.000000 2.716173\n1.568184 4.435492 2.716173\n0.000000 -0.000000 5.432346\nPm In Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.749999 0.750000 0.750000 Pm\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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],
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"density": 7.6690522958445655,
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"volume": 113.35673078276065,
"volume_molar": 17.066254721680238,
"formula_full": "Pm2 In1 Sn1",
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"spacegroup": 225
},
{
"id": "jvasp-118809",
"created_at": "2022-09-04T14:38:29.246905Z",
"updated_at": "2022-09-04T14:38:29.246921Z",
"structure_string": "Na1 Zn1\n1.0\n3.023399 0.000000 -0.000000\n0.000000 3.023399 -0.000000\n0.000000 -0.000000 5.802379\nNa Zn\n1 1\ndirect\n0.000000 0.000000 0.750030 Na\n0.000000 0.000000 0.249970 Zn\n",
"nsites": 2,
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"elements": [
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],
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"volume": 53.039207076425704,
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"formula_full": "Na1 Zn1",
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},
{
"id": "jvasp-1576",
"created_at": "2022-09-04T14:36:56.293371Z",
"updated_at": "2022-09-04T14:36:56.293387Z",
"structure_string": "Rb1 Sm1 O2\n1.0\n3.472591 0.003957 5.914009\n1.610968 3.076311 5.914009\n0.006530 0.003957 6.858160\nRb Sm O\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500001 0.500000 Sm\n0.772977 0.772979 0.772977 O\n0.227022 0.227023 0.227022 O\n",
"nsites": 4,
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"O"
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"volume": 73.05821228858251,
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"formula_full": "Rb1 Sm1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-8060",
"created_at": "2022-09-04T14:36:37.612429Z",
"updated_at": "2022-09-04T14:36:37.612450Z",
"structure_string": "Na1 Cu1 O2\n1.0\n2.687678 -0.000000 0.704048\n1.343886 3.219093 0.351846\n0.018570 -0.048031 5.411186\nNa Cu O\n1 1 2\ndirect\n0.500001 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Cu\n0.339005 0.093500 0.228489 O\n0.660997 0.906499 0.771512 O\n",
"nsites": 4,
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"elements": [
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],
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"density": 4.208058045231039,
"density_atomic": 0.08551604156430694,
"volume": 46.774849803964,
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"formula_full": "Na1 Cu1 O2",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-8570",
"created_at": "2022-09-04T14:37:07.203130Z",
"updated_at": "2022-09-04T14:37:07.203152Z",
"structure_string": "Li2 Co1 Cl4\n1.0\n3.532959 0.000000 0.000000\n0.000000 5.858232 -2.095750\n0.000000 -0.001617 6.221821\nLi Co Cl\n2 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.234829 0.234829 Cl\n0.000000 0.240274 0.759725 Cl\n0.500000 0.765171 0.765171 Cl\n0.000000 0.759725 0.240275 Cl\n",
"nsites": 7,
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"elements": [
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],
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"density": 2.767907362334825,
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"volume": 128.76039382750267,
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"formula_full": "Li2 Co1 Cl4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 65
},
{
"id": "jvasp-71649",
"created_at": "2022-09-04T14:35:49.938260Z",
"updated_at": "2022-09-04T14:35:49.938283Z",
"structure_string": "Be1 Ga2 Se1\n1.0\n-1.819344 1.819344 5.575517\n1.819344 -1.819344 5.575517\n1.819344 1.819344 -5.575517\nBe Ga Se\n1 2 1\ndirect\n0.749999 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.250000 0.749999 0.499999 Se\n",
"nsites": 4,
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},
{
"id": "jvasp-8184",
"created_at": "2022-09-04T14:37:04.237464Z",
"updated_at": "2022-09-04T14:37:04.237477Z",
"structure_string": "Ga2 P2\n1.0\n1.937115 -3.355182 0.000000\n1.937115 3.355182 0.000000\n0.000000 -0.000000 6.395898\nGa P\n2 2\ndirect\n0.666668 0.333334 0.500185 Ga\n0.333334 0.666668 0.000185 Ga\n0.666668 0.333334 0.873815 P\n0.333334 0.666668 0.373815 P\n",
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