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{
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"results": [
{
"id": "mp-1192732",
"created_at": "2022-09-04T14:40:41.283116Z",
"structure_string": "Cs6 H2 Se4 O16\n1.0\n3.250916 8.242050 0.000000\n-3.250916 8.242050 0.000000\n0.000000 2.307981 11.001396\nCs H Se O\n6 2 4 16\ndirect\n0.745886 0.254114 0.250000 Cs\n0.254114 0.745886 0.750000 Cs\n0.915670 0.466128 0.847839 Cs\n0.466128 0.915670 0.347839 Cs\n0.084330 0.533872 0.152161 Cs\n0.533872 0.084330 0.652161 Cs\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.329162 0.901703 0.034715 Se\n0.901703 0.329162 0.534715 Se\n0.670838 0.098297 0.965285 Se\n0.098297 0.670838 0.465285 Se\n0.171974 0.138659 0.098611 O\n0.138659 0.171974 0.598611 O\n0.828026 0.861341 0.901389 O\n0.861341 0.828026 0.401389 O\n0.172163 0.848242 0.050373 O\n0.848242 0.172163 0.550373 O\n0.827837 0.151758 0.949627 O\n0.151758 0.827837 0.449627 O\n0.383613 0.924457 0.885839 O\n0.924457 0.383613 0.385839 O\n0.616387 0.075543 0.114161 O\n0.075543 0.616387 0.614161 O\n0.558197 0.687574 0.105474 O\n0.687574 0.558197 0.605474 O\n0.441803 0.312426 0.894526 O\n0.312426 0.441803 0.394526 O\n",
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"formula_full": "Cs6 H2 Se4 O16",
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"updated_at": "2021-11-28T01:35:03.187000Z",
"spacegroup": 15
},
{
"id": "mp-568440",
"created_at": "2022-09-04T14:40:41.285085Z",
"structure_string": "Ho16 Ni80 B40\n1.0\n8.962606 0.000000 0.000000\n0.000000 9.469466 0.000000\n0.000000 0.000000 17.565755\nHo Ni B\n16 80 40\ndirect\n0.780496 0.387110 0.020014 Ho\n0.719504 0.612890 0.520014 Ho\n0.623772 0.858850 0.222038 Ho\n0.219504 0.887110 0.479986 Ho\n0.219504 0.612890 0.979986 Ho\n0.780496 0.112890 0.520014 Ho\n0.376228 0.141150 0.777962 Ho\n0.376228 0.358850 0.277962 Ho\n0.876228 0.358850 0.222038 Ho\n0.123772 0.641150 0.777962 Ho\n0.280496 0.112890 0.979986 Ho\n0.876228 0.141150 0.722038 Ho\n0.719504 0.887110 0.020014 Ho\n0.123772 0.858850 0.277962 Ho\n0.280496 0.387110 0.479986 Ho\n0.623772 0.641150 0.722038 Ho\n0.837563 0.281444 0.872356 Ni\n0.378945 0.461458 0.726992 Ni\n0.042432 0.021943 0.596468 Ni\n0.091199 0.146962 0.849602 Ni\n0.419054 0.667044 0.468581 Ni\n0.231145 0.893075 0.865228 Ni\n0.621055 0.961458 0.773008 Ni\n0.378945 0.038542 0.226992 Ni\n0.042432 0.478057 0.096468 Ni\n0.078778 0.613720 0.515375 Ni\n0.626624 0.176201 0.262963 Ni\n0.268855 0.106925 0.365228 Ni\n0.322355 0.494087 0.130700 Ni\n0.677645 0.505913 0.869300 Ni\n0.408801 0.853038 0.349602 Ni\n0.591199 0.146962 0.650398 Ni\n0.080946 0.332956 0.968581 Ni\n0.162437 0.781444 0.627644 Ni\n0.662437 0.718556 0.372356 Ni\n0.768855 0.393075 0.634772 Ni\n0.121055 0.538542 0.226992 Ni\n0.177645 0.505913 0.630700 Ni\n0.662437 0.781444 0.872356 Ni\n0.919054 0.832956 0.531419 Ni\n0.578778 0.886280 0.484625 Ni\n0.956443 0.718469 0.401441 Ni\n0.043557 0.218469 0.098559 Ni\n0.373376 0.823799 0.737037 Ni\n0.231145 0.606925 0.365228 Ni\n0.543557 0.218469 0.401441 Ni\n0.457568 0.978057 0.096468 Ni\n0.456443 0.718469 0.098559 Ni\n0.457568 0.521943 0.596468 Ni\n0.337563 0.281444 0.627644 Ni\n0.408801 0.646962 0.849602 Ni\n0.822355 0.005913 0.869300 Ni\n0.078778 0.886280 0.015375 Ni\n0.873376 0.676201 0.262963 Ni\n0.542432 0.021943 0.903532 Ni\n0.162437 0.718556 0.127644 Ni\n0.121055 0.961458 0.726992 Ni\n0.322355 0.005913 0.630700 Ni\n0.878945 0.038542 0.273008 Ni\n0.919054 0.667044 0.031419 Ni\n0.580946 0.167044 0.031419 Ni\n0.543557 0.281531 0.901441 Ni\n0.126624 0.323799 0.737037 Ni\n0.621055 0.538542 0.273008 Ni\n0.080946 0.167044 0.468581 Ni\n0.768855 0.106925 0.134772 Ni\n0.677645 0.994087 0.369300 Ni\n0.373376 0.676201 0.237037 Ni\n0.956443 0.781531 0.901441 Ni\n0.177645 0.994087 0.130700 Ni\n0.337563 0.218556 0.127644 Ni\n0.921222 0.113720 0.984625 Ni\n0.542432 0.478057 0.403532 Ni\n0.580946 0.332956 0.531419 Ni\n0.908801 0.853038 0.150398 Ni\n0.626624 0.323799 0.762963 Ni\n0.421222 0.386280 0.015375 Ni\n0.731145 0.893075 0.634772 Ni\n0.456443 0.781531 0.598559 Ni\n0.921222 0.386280 0.484625 Ni\n0.873376 0.823799 0.762963 Ni\n0.908801 0.646962 0.650398 Ni\n0.578778 0.613720 0.984625 Ni\n0.091199 0.353038 0.349602 Ni\n0.957568 0.978057 0.403532 Ni\n0.878945 0.461458 0.773008 Ni\n0.822355 0.494087 0.369300 Ni\n0.731145 0.606925 0.134772 Ni\n0.957568 0.521943 0.903532 Ni\n0.421222 0.113720 0.515375 Ni\n0.837563 0.218556 0.372356 Ni\n0.591199 0.353038 0.150398 Ni\n0.043557 0.281531 0.598559 Ni\n0.419054 0.832956 0.968581 Ni\n0.126624 0.176201 0.237037 Ni\n0.268855 0.393075 0.865228 Ni\n0.666562 0.350819 0.332942 B\n0.523241 0.563362 0.176636 B\n0.046354 0.357646 0.844407 B\n0.787217 0.852232 0.439050 B\n0.038665 0.981999 0.918066 B\n0.976759 0.063362 0.176636 B\n0.166562 0.350819 0.167058 B\n0.038665 0.518001 0.418066 B\n0.546354 0.357646 0.655593 B\n0.212783 0.352232 0.060950 B\n0.166562 0.149181 0.667058 B\n0.787217 0.647768 0.939050 B\n0.538665 0.981999 0.581934 B\n0.212783 0.147768 0.560950 B\n0.666562 0.149181 0.832942 B\n0.953646 0.857646 0.655593 B\n0.023241 0.936638 0.823364 B\n0.833438 0.850819 0.332942 B\n0.453646 0.857646 0.844407 B\n0.461335 0.018001 0.418066 B\n0.712783 0.352232 0.439050 B\n0.961335 0.481999 0.581934 B\n0.333438 0.850819 0.167058 B\n0.953646 0.642354 0.155593 B\n0.476759 0.063362 0.323364 B\n0.461335 0.481999 0.918066 B\n0.287217 0.852232 0.060950 B\n0.833438 0.649181 0.832942 B\n0.046354 0.142354 0.344407 B\n0.546354 0.142354 0.155593 B\n0.476759 0.436638 0.823364 B\n0.538665 0.518001 0.081934 B\n0.523241 0.936638 0.676636 B\n0.961335 0.018001 0.081934 B\n0.976759 0.436638 0.676636 B\n0.453646 0.642354 0.344407 B\n0.287217 0.647768 0.560950 B\n0.333438 0.649181 0.667058 B\n0.023241 0.563362 0.323364 B\n0.712783 0.147768 0.939050 B\n",
"nsites": 136,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"B"
],
"chemical_system": "B-Ho-Ni",
"density": 8.650962772715985,
"density_atomic": 0.09122466834946012,
"volume": 1490.824822503231,
"volume_molar": 6.601438918835642,
"formula_full": "Ho16 Ni80 B40",
"formula_reduced": "Ho2(Ni2B)5",
"formula_anonymous": "A2B5C10",
"energy": -867.06522926,
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"updated_at": "2021-11-28T01:35:05.071000Z",
"spacegroup": 61
},
{
"id": "mp-1222556",
"created_at": "2022-09-04T14:40:41.309329Z",
"structure_string": "Lu2 In2 O12\n1.0\n3.706924 5.157447 0.000000\n-3.706924 5.157447 0.000000\n0.000000 5.130314 5.313602\nLu In O\n2 2 12\ndirect\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.500000 Lu\n0.000000 0.500000 0.000000 In\n0.500000 0.000000 0.000000 In\n0.690119 0.690119 0.405439 O\n0.309881 0.309881 0.594561 O\n0.668675 0.668675 0.227502 O\n0.331325 0.331325 0.772498 O\n0.096702 0.897365 0.684290 O\n0.903298 0.102635 0.315710 O\n0.897365 0.096702 0.684290 O\n0.102635 0.903298 0.315710 O\n0.779914 0.417782 0.897111 O\n0.220086 0.582218 0.102889 O\n0.582218 0.220086 0.102889 O\n0.417782 0.779914 0.897111 O\n",
"nsites": 16,
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"elements": [
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"In",
"O"
],
"chemical_system": "In-Lu-O",
"density": 6.30598458433408,
"density_atomic": 0.07875035304527062,
"volume": 203.17369232366744,
"volume_molar": 7.647128586887856,
"formula_full": "Lu2 In2 O12",
"formula_reduced": "LuInO6",
"formula_anonymous": "ABC6",
"energy": -94.47896246,
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"updated_at": "2021-11-28T01:35:06.939000Z",
"spacegroup": 12
},
{
"id": "mp-1178075",
"created_at": "2022-09-04T14:40:41.310093Z",
"structure_string": "Li13 Mn6 P8 O32\n1.0\n1.876624 -2.715187 -7.360739\n7.978453 0.001424 -0.261625\n-3.082716 -11.115215 0.169342\nLi Mn P O\n13 6 8 32\ndirect\n0.994982 0.998419 0.486117 Li\n0.533000 0.188036 0.711550 Li\n0.262450 0.286439 0.631408 Li\n0.238916 0.211594 0.380847 Li\n0.632429 0.395174 0.861219 Li\n0.270731 0.243586 0.985826 Li\n0.495899 0.502135 0.513160 Li\n0.057212 0.728081 0.721958 Li\n0.778427 0.739343 0.980137 Li\n0.382802 0.582644 0.109062 Li\n0.771859 0.776319 0.633776 Li\n0.738090 0.726712 0.380455 Li\n0.001981 0.993267 0.992011 Li\n0.517849 0.249565 0.210629 Mn\n0.952022 0.283850 0.280702 Mn\n0.426166 0.824974 0.297823 Mn\n0.997563 0.760423 0.204826 Mn\n0.004309 0.234791 0.787942 Mn\n0.482084 0.754068 0.791021 Mn\n0.721529 0.027712 0.900065 P\n0.625979 0.133140 0.409261 P\n0.220408 0.531146 0.902491 P\n0.877581 0.380270 0.604340 P\n0.118790 0.616188 0.400249 P\n0.774677 0.474316 0.095800 P\n0.382938 0.872587 0.597248 P\n0.275083 0.975620 0.097965 P\n0.224460 0.043622 0.610643 O\n0.917451 0.029239 0.839739 O\n0.569473 0.189847 0.897176 O\n0.504415 0.066541 0.333714 O\n0.225667 0.334554 0.823999 O\n0.510440 0.249833 0.550809 O\n0.806453 0.260543 0.679907 O\n0.276120 0.168948 0.176984 O\n0.704691 0.031141 0.038952 O\n0.015056 0.442519 0.663412 O\n0.793020 0.468321 0.955858 O\n0.686461 0.269680 0.346177 O\n0.981569 0.249942 0.460981 O\n0.413103 0.537952 0.842380 O\n0.063628 0.693104 0.906039 O\n0.279166 0.450412 0.391148 O\n0.978912 0.551377 0.342174 O\n0.716259 0.546812 0.614708 O\n0.927032 0.311295 0.096734 O\n0.013078 0.756371 0.538463 O\n0.580539 0.470983 0.159960 O\n0.315491 0.743020 0.662746 O\n0.201315 0.530600 0.041671 O\n0.291663 0.976087 0.960282 O\n0.720649 0.833992 0.824030 O\n0.191430 0.723368 0.313165 O\n0.493340 0.749337 0.453400 O\n0.777577 0.667884 0.172686 O\n0.516657 0.934007 0.662083 O\n0.424530 0.808170 0.097017 O\n0.075675 0.975836 0.156366 O\n0.789496 0.963260 0.393094 O\n",
"nsites": 59,
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"elements": [
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"O"
],
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"density": 3.0193551401484053,
"density_atomic": 0.09094325749477108,
"volume": 648.7561763816552,
"volume_molar": 6.621866123880873,
"formula_full": "Li13 Mn6 P8 O32",
"formula_reduced": "Li13Mn6(PO4)8",
"formula_anonymous": "A6B8C13D32",
"energy": -432.56275299,
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"updated_at": "2021-11-28T01:35:08.256000Z",
"spacegroup": 1
},
{
"id": "mp-30510",
"created_at": "2022-09-04T14:40:41.333270Z",
"structure_string": "Ce2 Ni8 Sn4\n1.0\n-3.557264 3.557264 3.778618\n3.557264 -3.557264 3.778618\n3.557264 3.557264 -3.778618\nCe Ni Sn\n2 8 4\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.551187 0.565128 0.283060 Ni\n0.731873 0.448813 0.013941 Ni\n0.231873 0.217932 0.283060 Ni\n0.782068 0.065128 0.013941 Ni\n0.051187 0.768127 0.986059 Ni\n0.434872 0.717932 0.986059 Ni\n0.282068 0.268127 0.716940 Ni\n0.934872 0.948813 0.716940 Ni\n0.407265 0.092735 0.000000 Sn\n0.092735 0.407265 0.000000 Sn\n0.592735 0.592735 0.685470 Sn\n0.907265 0.907265 0.314530 Sn\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sn"
],
"chemical_system": "Ce-Ni-Sn",
"density": 10.632245273621187,
"density_atomic": 0.07319861448898232,
"volume": 191.26045073035155,
"volume_molar": 8.227123972280157,
"formula_full": "Ce2 Ni8 Sn4",
"formula_reduced": "Ce(Ni2Sn)2",
"formula_anonymous": "AB2C4",
"energy": -75.2454585,
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"updated_at": "2021-11-28T01:35:06.631000Z",
"spacegroup": 120
},
{
"id": "mp-1186428",
"created_at": "2022-09-04T14:40:41.361326Z",
"structure_string": "Nd2 Pu6\n1.0\n5.392992 0.000000 0.000000\n0.000000 6.825673 0.000000\n0.000000 3.409981 6.013780\nNd Pu\n2 6\ndirect\n0.500000 0.663320 0.687751 Nd\n0.000000 0.342139 0.312516 Nd\n0.000000 0.310654 0.823132 Pu\n0.000000 0.831503 0.331789 Pu\n0.000000 0.857384 0.848733 Pu\n0.500000 0.693847 0.160592 Pu\n0.500000 0.171913 0.665197 Pu\n0.500000 0.129236 0.170291 Pu\n",
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"volume": 221.37205212409222,
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"formula_full": "Nd2 Pu6",
"formula_reduced": "NdPu3",
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"energy": -93.13916222,
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"spacegroup": 6
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{
"id": "mp-1260852",
"created_at": "2022-09-04T14:40:41.381466Z",
"structure_string": "Mg4 Si8\n1.0\n5.256085 -0.028571 -0.119484\n1.976675 4.089667 0.008210\n-0.497036 0.240521 9.561527\nMg Si\n4 8\ndirect\n0.284084 0.437318 0.103329 Mg\n0.715928 0.229320 0.896646 Mg\n0.990133 0.089817 0.613456 Mg\n0.009877 0.576821 0.386522 Mg\n0.304808 0.932074 0.902248 Si\n0.695204 0.734565 0.097733 Si\n0.423043 0.869144 0.301982 Si\n0.377054 0.397656 0.625857 Si\n0.937178 0.110928 0.184673 Si\n0.062828 0.555710 0.815295 Si\n0.576959 0.797513 0.697994 Si\n0.622961 0.268986 0.374116 Si\n",
"nsites": 12,
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"elements": [
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],
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"density": 2.59783797982248,
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"volume": 205.76116441693296,
"volume_molar": 10.326022458835613,
"formula_full": "Mg4 Si8",
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"spacegroup": 12
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{
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