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{
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"results": [
{
"id": "mp-1192979",
"created_at": "2022-09-04T14:44:55.416199Z",
"structure_string": "Ce4 Cl12 O12\n1.0\n6.788346 0.000000 0.000000\n0.000000 8.429295 0.000000\n0.000000 0.000000 12.222295\nCe Cl O\n4 12 12\ndirect\n0.880606 0.750000 0.986476 Ce\n0.619394 0.750000 0.486476 Ce\n0.119394 0.250000 0.013524 Ce\n0.380606 0.250000 0.513524 Ce\n0.997702 0.750000 0.221338 Cl\n0.502298 0.750000 0.721338 Cl\n0.002298 0.250000 0.778662 Cl\n0.497702 0.250000 0.278662 Cl\n0.815156 0.045899 0.082150 Cl\n0.684844 0.454101 0.582150 Cl\n0.184844 0.545899 0.917850 Cl\n0.315156 0.954101 0.417850 Cl\n0.184844 0.954101 0.917850 Cl\n0.315156 0.545899 0.417850 Cl\n0.815156 0.454101 0.082150 Cl\n0.684844 0.045899 0.582150 Cl\n0.581198 0.750000 0.971882 O\n0.918802 0.750000 0.471882 O\n0.418802 0.250000 0.028118 O\n0.081198 0.250000 0.528118 O\n0.725476 0.623309 0.835667 O\n0.774524 0.876691 0.335667 O\n0.274524 0.123309 0.164333 O\n0.225476 0.376691 0.664333 O\n0.274524 0.376691 0.164333 O\n0.225476 0.123309 0.664333 O\n0.725476 0.876691 0.835667 O\n0.774524 0.623309 0.335667 O\n",
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{
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"structure_string": "La1 Pb1 Au2\n1.0\n0.000000 3.682936 3.682936\n3.682936 0.000000 3.682936\n3.682936 3.682936 0.000000\nLa Pb Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Pb\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
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"formula_full": "La1 Pb1 Au2",
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"spacegroup": 225
},
{
"id": "mp-27785",
"created_at": "2022-09-04T14:40:29.310317Z",
"structure_string": "Ti1 Br2\n1.0\n1.749434 -3.030109 0.000000\n1.749434 3.030109 0.000000\n0.000000 0.000000 7.068014\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.239321 Br\n0.666667 0.333333 0.760679 Br\n",
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"formula_full": "Ti1 Br2",
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},
{
"id": "mp-1220874",
"created_at": "2022-09-04T14:45:21.372387Z",
"structure_string": "Na1 Sb1 Se2\n1.0\n4.181399 0.000000 0.000000\n0.000000 4.181399 0.000000\n0.000000 0.000000 5.714579\nNa Sb Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Se\n0.500000 0.500000 0.000000 Se\n",
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"formula_full": "Na1 Sb1 Se2",
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"spacegroup": 123
},
{
"id": "mp-1028046",
"created_at": "2022-09-04T14:47:28.088192Z",
"structure_string": "La1 Y1 Mg14\n1.0\n6.645820 0.050013 0.000000\n-3.279597 5.680429 0.000000\n0.000000 0.000000 10.540923\nLa Y Mg\n1 1 14\ndirect\n0.169798 0.834899 0.125000 La\n0.173455 0.336727 0.125000 Y\n0.165520 0.332760 0.625000 Mg\n0.165572 0.832786 0.625000 Mg\n0.664469 0.333751 0.125000 Mg\n0.666750 0.333353 0.625000 Mg\n0.664469 0.830718 0.125000 Mg\n0.666750 0.833395 0.625000 Mg\n0.337407 0.171567 0.385604 Mg\n0.337407 0.171567 0.864396 Mg\n0.337407 0.665841 0.385604 Mg\n0.337407 0.665841 0.864396 Mg\n0.829987 0.164994 0.376481 Mg\n0.829987 0.164994 0.873519 Mg\n0.826806 0.663404 0.380397 Mg\n0.826806 0.663404 0.869603 Mg\n",
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"elements": [
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],
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"density": 2.3603065027278403,
"density_atomic": 0.04003398105350823,
"volume": 399.6604778978857,
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"formula_full": "La1 Y1 Mg14",
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"total_magnetization": 1.82e-05,
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"updated_at": "2021-11-28T01:38:08.251000Z",
"spacegroup": 38
},
{
"id": "mp-979967",
"created_at": "2022-09-04T14:48:07.903475Z",
"structure_string": "Yb2 Ga1 Hg1\n1.0\n0.000000 3.683002 3.683002\n3.683002 0.000000 3.683002\n3.683002 3.683002 0.000000\nYb Ga Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Ga-Hg-Yb",
"density": 10.244032220451448,
"density_atomic": 0.040033552621689776,
"volume": 99.9161887479564,
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"formula_full": "Yb2 Ga1 Hg1",
"formula_reduced": "Yb2GaHg",
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"spacegroup": 225
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{
"id": "mp-683891",
"created_at": "2022-09-04T14:41:50.559626Z",
"structure_string": "Mn2 Sb12 Pb8 S28\n1.0\n19.378503 0.000000 0.000000\n0.000000 4.036004 0.000000\n0.000000 0.563544 15.968923\nMn Sb Pb S\n2 12 8 28\ndirect\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.437648 0.909354 0.682170 Sb\n0.340139 0.123099 0.870526 Sb\n0.549360 0.876962 0.896806 Sb\n0.450640 0.123038 0.103194 Sb\n0.562352 0.090646 0.317830 Sb\n0.937648 0.090646 0.817830 Sb\n0.159861 0.123099 0.370526 Sb\n0.062352 0.909354 0.182170 Sb\n0.950640 0.876962 0.396806 Sb\n0.840139 0.876901 0.629474 Sb\n0.659861 0.876901 0.129474 Sb\n0.049360 0.123038 0.603194 Sb\n0.360068 0.539441 0.314589 Pb\n0.860068 0.460559 0.185411 Pb\n0.260462 0.564373 0.072872 Pb\n0.139932 0.539441 0.814589 Pb\n0.239538 0.564373 0.572872 Pb\n0.760462 0.435627 0.427128 Pb\n0.739538 0.435627 0.927128 Pb\n0.639932 0.460559 0.685411 Pb\n0.956039 0.973971 0.096570 S\n0.600916 0.447793 0.003245 S\n0.840750 0.942150 0.318154 S\n0.503770 0.470156 0.786640 S\n0.297680 0.594793 0.777253 S\n0.399084 0.552207 0.996755 S\n0.899084 0.447793 0.503245 S\n0.730664 0.918847 0.551687 S\n0.202320 0.594793 0.277253 S\n0.797680 0.405207 0.722747 S\n0.395084 0.484100 0.583002 S\n0.702320 0.405207 0.222747 S\n0.996230 0.470156 0.286640 S\n0.496230 0.529844 0.213360 S\n0.100916 0.552207 0.496755 S\n0.104916 0.484100 0.083002 S\n0.769336 0.918847 0.051687 S\n0.340750 0.057850 0.181846 S\n0.269336 0.081153 0.448313 S\n0.159250 0.057850 0.681846 S\n0.604916 0.515900 0.416998 S\n0.456039 0.026029 0.403430 S\n0.895084 0.515900 0.916998 S\n0.230664 0.081153 0.948313 S\n0.003770 0.529844 0.713360 S\n0.043961 0.026029 0.903430 S\n0.659250 0.942150 0.818154 S\n0.543961 0.973971 0.596570 S\n",
"nsites": 50,
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"formula_full": "Mn2 Sb12 Pb8 S28",
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{
"id": "mp-1224297",
"created_at": "2022-09-04T14:46:37.386599Z",
"structure_string": "Ho4 Co1 Sn8\n1.0\n0.000000 0.000000 4.383185\n4.433989 0.000000 0.000000\n0.000000 16.708753 0.000000\nHo Co Sn\n4 1 8\ndirect\n0.250000 0.000000 0.098067 Ho\n0.250000 0.500000 0.601107 Ho\n0.750000 0.500000 0.396473 Ho\n0.750000 0.000000 0.899913 Ho\n0.250000 0.000000 0.306626 Co\n0.250000 0.000000 0.452857 Sn\n0.250000 0.500000 0.937507 Sn\n0.750000 0.500000 0.062666 Sn\n0.750000 0.000000 0.571070 Sn\n0.250000 0.500000 0.235872 Sn\n0.250000 0.000000 0.745270 Sn\n0.750000 0.000000 0.238087 Sn\n0.750000 0.500000 0.754485 Sn\n",
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"formula_full": "Ho4 Co1 Sn8",
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{
"id": "mp-1186792",
"created_at": "2022-09-04T14:45:12.698542Z",
"structure_string": "Pu1 Hg3\n1.0\n0.000000 3.683040 3.683040\n3.683040 0.000000 3.683040\n3.683040 3.683040 0.000000\nPu Hg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.750000 0.750000 Hg\n0.250000 0.250000 0.250000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "mp-1237705",
"created_at": "2022-09-04T14:44:24.186254Z",
"structure_string": "As8 C16 S8 O4\n1.0\n2.756212 11.888536 0.000000\n-2.756212 11.888536 0.000000\n0.000000 2.899429 13.722373\nAs C S O\n8 16 8 4\ndirect\n0.198384 0.937890 0.982518 As\n0.062110 0.801616 0.517482 As\n0.801616 0.062110 0.017482 As\n0.937890 0.198384 0.482518 As\n0.294825 0.080616 0.071577 As\n0.919384 0.705175 0.428423 As\n0.705175 0.919384 0.928423 As\n0.080616 0.294825 0.571577 As\n0.532506 0.500808 0.889308 C\n0.499192 0.467495 0.610692 C\n0.467495 0.499192 0.110692 C\n0.500808 0.532505 0.389308 C\n0.470358 0.648824 0.908285 C\n0.351176 0.529642 0.591715 C\n0.529642 0.351176 0.091715 C\n0.648824 0.470358 0.408285 C\n0.048568 0.425658 0.039585 C\n0.574342 0.951432 0.460415 C\n0.951432 0.574342 0.960415 C\n0.425658 0.048568 0.539585 C\n0.038905 0.271919 0.185330 C\n0.728081 0.961095 0.314670 C\n0.961095 0.728081 0.814670 C\n0.271919 0.038905 0.685330 C\n0.378476 0.699885 0.135753 S\n0.300115 0.621524 0.364247 S\n0.621524 0.300115 0.864247 S\n0.699885 0.378476 0.635753 S\n0.931904 0.499144 0.163388 S\n0.500856 0.068096 0.336612 S\n0.068096 0.500856 0.836612 S\n0.499144 0.931904 0.663388 S\n0.262802 0.028395 0.976943 O\n0.971605 0.737198 0.523057 O\n0.737198 0.971605 0.023057 O\n0.028395 0.262802 0.476943 O\n",
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"formula_full": "As8 C16 S8 O4",
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{
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"structure_string": "Ca1 Nd1 Zn2\n1.0\n0.000000 3.683068 3.683068\n3.683068 0.000000 3.683068\n3.683068 3.683068 0.000000\nCa Nd Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
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{
"id": "mp-1021693",
"created_at": "2022-09-04T14:40:23.829926Z",
"structure_string": "Sr1 Mg6 V1\n1.0\n6.638435 -0.001263 0.000000\n-3.320312 5.748421 0.000000\n0.000000 0.000000 5.237484\nSr Mg V\n1 6 1\ndirect\n0.330789 0.169211 0.750000 Sr\n0.157966 0.813983 0.250000 Mg\n0.686017 0.342034 0.250000 Mg\n0.666086 0.833914 0.250000 Mg\n0.319966 0.653082 0.750000 Mg\n0.846918 0.180034 0.750000 Mg\n0.836621 0.663379 0.750000 Mg\n0.155637 0.344363 0.250000 V\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"V"
],
"chemical_system": "Mg-Sr-V",
"density": 2.363069277537343,
"density_atomic": 0.04003139564967089,
"volume": 199.84314486586655,
"volume_molar": 15.043544353791495,
"formula_full": "Sr1 Mg6 V1",
"formula_reduced": "SrMg6V",
"formula_anonymous": "ABC6",
"energy": -18.31788262,
"energy_per_atom": -2.2897353275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.31788262,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.3899094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.727000Z",
"spacegroup": 38
}
]
}