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{
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"results": [
{
"id": "mp-1306573",
"created_at": "2022-09-04T14:42:59.735488Z",
"structure_string": "Li4 Nb4 V4 O16\n1.0\n-3.087246 5.331050 -0.008585\n-3.083537 1.771025 5.027901\n9.234405 1.753209 5.024388\nLi Nb V O\n4 4 4 16\ndirect\n0.132093 0.943387 0.190990 Li\n0.126664 0.442084 0.690495 Li\n0.873333 0.557920 0.309509 Li\n0.867919 0.056621 0.809017 Li\n0.499986 0.999975 0.499988 Nb\n0.499989 0.500001 0.999993 Nb\n0.491313 0.747596 0.750147 Nb\n0.508625 0.252400 0.249825 Nb\n0.999994 0.499972 0.000003 V\n0.500025 0.499972 0.500000 V\n0.999982 0.000023 0.500000 V\n0.500017 0.999988 0.999995 V\n0.269050 0.879359 0.391303 O\n0.262082 0.382549 0.893879 O\n0.268912 0.637887 0.629275 O\n0.259983 0.155835 0.123023 O\n0.740026 0.844221 0.876963 O\n0.731108 0.362115 0.370716 O\n0.737933 0.617448 0.106134 O\n0.730983 0.120600 0.608744 O\n0.271976 0.097520 0.623586 O\n0.259291 0.601594 0.120675 O\n0.718268 0.650142 0.622726 O\n0.725212 0.139550 0.122758 O\n0.740690 0.398451 0.879321 O\n0.728017 0.902490 0.376419 O\n0.274836 0.860452 0.877253 O\n0.281691 0.349848 0.377263 O\n",
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"formula_full": "Li4 Nb4 V4 O16",
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"spacegroup": 2
},
{
"id": "mp-1225355",
"created_at": "2022-09-04T14:42:59.739017Z",
"structure_string": "Eu2 Zn2 Pb2\n1.0\n2.440219 5.752059 0.000000\n-2.440219 5.752059 0.000000\n0.000000 5.132530 5.845073\nEu Zn Pb\n2 2 2\ndirect\n0.461153 0.461153 0.787085 Eu\n0.538847 0.538847 0.212915 Eu\n0.855226 0.855226 0.598584 Zn\n0.144774 0.144774 0.401416 Zn\n0.175835 0.175835 0.763907 Pb\n0.824165 0.824165 0.236093 Pb\n",
"nsites": 6,
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"volume": 164.08620529358097,
"volume_molar": 16.469170417536695,
"formula_full": "Eu2 Zn2 Pb2",
"formula_reduced": "EuZnPb",
"formula_anonymous": "ABC",
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:05.038000Z",
"spacegroup": 12
},
{
"id": "mp-6829",
"created_at": "2022-09-04T14:42:59.742467Z",
"structure_string": "Ba3 Y2 Cu2 Pt1 O10\n1.0\n2.938398 6.302432 0.000000\n-2.938398 6.302432 0.000000\n0.000000 2.016739 7.256242\nBa Y Cu Pt O\n3 2 2 1 10\ndirect\n0.153219 0.153219 0.459558 Ba\n0.000000 0.000000 0.000000 Ba\n0.846781 0.846781 0.540442 Ba\n0.311255 0.311255 0.873730 Y\n0.688745 0.688745 0.126270 Y\n0.410573 0.410573 0.199883 Cu\n0.589427 0.589427 0.800117 Cu\n0.500000 0.500000 0.500000 Pt\n0.332522 0.332522 0.552085 O\n0.667478 0.667478 0.447915 O\n0.911488 0.454114 0.875291 O\n0.545886 0.088512 0.124709 O\n0.088512 0.545886 0.124709 O\n0.454114 0.911488 0.875291 O\n0.737557 0.296443 0.282363 O\n0.703557 0.262443 0.717637 O\n0.296443 0.737557 0.282363 O\n0.262443 0.703557 0.717637 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "Ba-Cu-O-Pt-Y",
"density": 6.623205483456246,
"density_atomic": 0.06697488288688584,
"volume": 268.75746883201384,
"volume_molar": 8.991640597820558,
"formula_full": "Ba3 Y2 Cu2 Pt1 O10",
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"updated_at": "2021-11-28T01:36:04.284000Z",
"spacegroup": 12
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{
"id": "mp-1238873",
"created_at": "2022-09-04T14:42:59.749015Z",
"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n3.474937 0.000000 0.000000\n0.000000 11.266125 0.000000\n0.000000 0.000000 12.874592\nTi Cr Ag S\n4 4 4 16\ndirect\n0.000000 0.800349 0.116876 Ti\n0.500000 0.199651 0.616876 Ti\n0.000000 0.821531 0.587683 Ti\n0.500000 0.178469 0.087683 Ti\n0.500000 0.690988 0.887794 Cr\n0.000000 0.309012 0.387794 Cr\n0.500000 0.663243 0.409293 Cr\n0.000000 0.336757 0.909293 Cr\n0.500000 0.496378 0.688477 Ag\n0.000000 0.001141 0.319142 Ag\n0.000000 0.503622 0.188477 Ag\n0.500000 0.998859 0.819142 Ag\n0.000000 0.715425 0.290885 S\n0.500000 0.786332 0.713632 S\n0.500000 0.284575 0.790885 S\n0.000000 0.213668 0.213632 S\n0.500000 0.657543 0.068529 S\n0.000000 0.832988 0.929093 S\n0.000000 0.342457 0.568529 S\n0.500000 0.167012 0.429093 S\n0.000000 0.622646 0.532516 S\n0.500000 0.869299 0.461895 S\n0.500000 0.377354 0.032516 S\n0.000000 0.130701 0.961895 S\n0.000000 0.548018 0.847887 S\n0.500000 0.950216 0.146298 S\n0.500000 0.451982 0.347887 S\n0.000000 0.049784 0.646298 S\n",
"nsites": 28,
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"elements": [
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"Ag",
"S"
],
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"density": 4.42774034874912,
"density_atomic": 0.0555524293238526,
"volume": 504.0283627700439,
"volume_molar": 10.840463384405526,
"formula_full": "Ti4 Cr4 Ag4 S16",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -176.39344959,
"energy_per_atom": -6.299766056785714,
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"updated_at": "2021-11-28T01:36:04.027000Z",
"spacegroup": 31
},
{
"id": "mp-20905",
"created_at": "2022-09-04T14:42:59.752092Z",
"structure_string": "Os4 S8\n1.0\n5.664152 0.000000 0.000000\n0.000000 5.664152 0.000000\n0.000000 0.000000 5.664152\nOs S\n4 8\ndirect\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.384043 0.115957 0.884043 S\n0.115957 0.884043 0.384043 S\n0.884043 0.384043 0.115957 S\n0.615957 0.615957 0.615957 S\n0.384043 0.384043 0.384043 S\n0.115957 0.615957 0.884043 S\n0.884043 0.115957 0.615957 S\n0.615957 0.884043 0.115957 S\n",
"nsites": 12,
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"elements": [
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],
"chemical_system": "Os-S",
"density": 9.297222126992537,
"density_atomic": 0.06603535974023154,
"volume": 181.72082422516266,
"volume_molar": 9.11956985422623,
"formula_full": "Os4 S8",
"formula_reduced": "OsS2",
"formula_anonymous": "AB2",
"energy": -86.3066362,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:01.765000Z",
"spacegroup": 205
},
{
"id": "mp-1195528",
"created_at": "2022-09-04T14:42:59.761797Z",
"structure_string": "Rb4 Th2 Mo6 O24\n1.0\n6.367794 9.225871 0.000000\n-6.367794 9.225871 0.000000\n0.000000 1.416574 5.289068\nRb Th Mo O\n4 2 6 24\ndirect\n0.543814 0.789280 0.070807 Rb\n0.210720 0.456186 0.429193 Rb\n0.456186 0.210720 0.929193 Rb\n0.789280 0.543814 0.570807 Rb\n0.123998 0.876002 0.250000 Th\n0.876002 0.123998 0.750000 Th\n0.345381 0.654619 0.750000 Mo\n0.654619 0.345381 0.250000 Mo\n0.256231 0.046343 0.605467 Mo\n0.953657 0.743769 0.894533 Mo\n0.743769 0.953657 0.394533 Mo\n0.046343 0.256231 0.105467 Mo\n0.110312 0.031382 0.853956 O\n0.968618 0.889688 0.646044 O\n0.889688 0.968618 0.146044 O\n0.031382 0.110312 0.353956 O\n0.284237 0.926850 0.398685 O\n0.073150 0.715763 0.101315 O\n0.715763 0.073150 0.601315 O\n0.926850 0.284237 0.898685 O\n0.225583 0.698159 0.532093 O\n0.301841 0.774417 0.967907 O\n0.774417 0.301841 0.467907 O\n0.698159 0.225583 0.032093 O\n0.394926 0.007679 0.741742 O\n0.992321 0.605074 0.758258 O\n0.605074 0.992321 0.258258 O\n0.007679 0.394926 0.241742 O\n0.240831 0.192975 0.398735 O\n0.807025 0.759169 0.101265 O\n0.759169 0.807025 0.601265 O\n0.192975 0.240831 0.898735 O\n0.499121 0.646304 0.580971 O\n0.353696 0.500879 0.919029 O\n0.500879 0.353696 0.419029 O\n0.646304 0.499121 0.080971 O\n",
"nsites": 36,
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"Mo",
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],
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"density": 4.717688121373793,
"density_atomic": 0.057929125339461894,
"volume": 621.4490515615717,
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"formula_full": "Rb4 Th2 Mo6 O24",
"formula_reduced": "Rb2Th(MoO4)3",
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"energy": -291.99896814,
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"spacegroup": 15
},
{
"id": "mp-1216329",
"created_at": "2022-09-04T14:42:59.912542Z",
"structure_string": "V1 Fe4\n1.0\n-1.443163 -1.424918 1.424918\n-1.443163 1.424918 -1.424918\n-1.443163 -7.115968 -7.115968\nV Fe\n1 4\ndirect\n0.000000 0.000000 0.000000 V\n0.399228 0.399228 0.201544 Fe\n0.800242 0.800242 0.399516 Fe\n0.199758 0.199758 0.600484 Fe\n0.600772 0.600772 0.798456 Fe\n",
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"spacegroup": 69
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{
"id": "mp-1219096",
"created_at": "2022-09-04T14:42:59.762732Z",
"structure_string": "Sm8 Sb3 O8\n1.0\n1.933851 6.851794 0.000000\n-1.933851 6.851794 0.000000\n0.000000 4.595940 14.766224\nSm Sb O\n8 3 8\ndirect\n0.717288 0.721426 0.911563 Sm\n0.278574 0.282712 0.088437 Sm\n0.642886 0.642696 0.569447 Sm\n0.357304 0.357114 0.430553 Sm\n0.876438 0.876569 0.653734 Sm\n0.123431 0.123562 0.346266 Sm\n0.455323 0.455463 0.831656 Sm\n0.544537 0.544677 0.168344 Sm\n0.173107 0.170108 0.732849 Sb\n0.829892 0.826893 0.267151 Sb\n0.964339 0.035661 0.000000 Sb\n0.469229 0.469064 0.632747 O\n0.530936 0.530771 0.367253 O\n0.880328 0.884593 0.799758 O\n0.115407 0.119672 0.200242 O\n0.165174 0.164610 0.485938 O\n0.835390 0.834826 0.514062 O\n0.292634 0.300218 0.933985 O\n0.699782 0.707366 0.066015 O\n",
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"formula_full": "Sm8 Sb3 O8",
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{
"id": "mp-1195303",
"created_at": "2022-09-04T14:42:59.765380Z",
"structure_string": "H24 Pt4 N16 O16\n1.0\n13.170877 0.000000 0.000000\n0.000000 7.157983 0.000000\n0.000000 2.736529 7.260023\nH Pt N O\n24 4 16 16\ndirect\n0.358049 0.655258 0.987881 H\n0.858049 0.344742 0.512119 H\n0.641951 0.344742 0.012119 H\n0.141951 0.655258 0.487881 H\n0.385531 0.604598 0.208188 H\n0.885531 0.395402 0.291812 H\n0.614469 0.395402 0.791812 H\n0.114469 0.604598 0.708188 H\n0.283510 0.737421 0.117807 H\n0.783510 0.262579 0.382193 H\n0.716490 0.262579 0.882193 H\n0.216490 0.737421 0.617807 H\n0.370308 0.058004 0.323569 H\n0.870308 0.941996 0.176431 H\n0.629692 0.941996 0.676431 H\n0.129692 0.058004 0.823569 H\n0.437719 0.268189 0.252823 H\n0.937719 0.731811 0.247177 H\n0.562281 0.731811 0.747177 H\n0.062281 0.268189 0.752823 H\n0.396075 0.170020 0.101650 H\n0.896075 0.829980 0.398350 H\n0.603925 0.829980 0.898350 H\n0.103925 0.170020 0.601650 H\n0.242223 0.356754 0.185231 Pt\n0.742223 0.643246 0.314769 Pt\n0.757777 0.643246 0.814769 Pt\n0.257777 0.356754 0.685231 Pt\n0.165249 0.098897 0.249870 N\n0.665249 0.901103 0.250130 N\n0.834751 0.901103 0.750130 N\n0.334751 0.098897 0.749870 N\n0.116429 0.525241 0.152665 N\n0.616429 0.474759 0.347335 N\n0.883571 0.474759 0.847335 N\n0.383571 0.525241 0.652665 N\n0.327192 0.619199 0.116708 N\n0.827192 0.380801 0.383292 N\n0.672808 0.380801 0.883292 N\n0.172808 0.619199 0.616708 N\n0.377456 0.194026 0.221032 N\n0.877456 0.805974 0.278968 N\n0.622544 0.805974 0.778968 N\n0.122544 0.194026 0.721032 N\n0.089554 0.063804 0.352919 O\n0.589554 0.936196 0.147081 O\n0.910446 0.936196 0.647081 O\n0.410446 0.063804 0.852919 O\n0.197230 0.969487 0.187584 O\n0.697230 0.030513 0.312416 O\n0.802770 0.030513 0.812416 O\n0.302770 0.969487 0.687584 O\n0.059260 0.506603 0.287692 O\n0.559260 0.493397 0.212308 O\n0.940740 0.493397 0.712308 O\n0.440740 0.506603 0.787692 O\n0.099083 0.656834 0.999980 O\n0.599083 0.343166 0.500020 O\n0.900917 0.343166 0.000020 O\n0.400917 0.656834 0.499980 O\n",
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"formula_full": "H24 Pt4 N16 O16",
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},
{
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{
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"formula_full": "Li1 Ti1 Fe5 O8",
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},
{
"id": "mp-1189774",
"created_at": "2022-09-04T14:42:59.357230Z",
"structure_string": "V12 Ga8\n1.0\n6.546217 0.000000 0.000000\n0.000000 6.546217 0.000000\n0.000000 0.000000 6.546217\nV Ga\n12 8\ndirect\n0.793409 0.956591 0.375000 V\n0.706591 0.043409 0.875000 V\n0.206591 0.456591 0.125000 V\n0.293409 0.543409 0.625000 V\n0.956591 0.375000 0.793409 V\n0.043409 0.875000 0.706591 V\n0.456591 0.125000 0.206591 V\n0.543409 0.625000 0.293409 V\n0.375000 0.793409 0.956591 V\n0.875000 0.706591 0.043409 V\n0.125000 0.206591 0.456591 V\n0.625000 0.293409 0.543409 V\n0.187852 0.812148 0.312148 Ga\n0.312148 0.187852 0.812148 Ga\n0.812148 0.312148 0.187852 Ga\n0.687852 0.687852 0.687852 Ga\n0.562148 0.437852 0.937852 Ga\n0.437852 0.937852 0.562148 Ga\n0.937852 0.562148 0.437852 Ga\n0.062148 0.062148 0.062148 Ga\n",
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}
]
}