HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=70",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=decomposes_to&page=68",
"results": [
{
"id": "mp-696658",
"created_at": "2022-09-04T14:42:19.350331Z",
"structure_string": "H24 C4 N8 O12\n1.0\n4.838698 0.000000 0.000000\n0.000000 6.761134 0.000000\n0.000000 0.000000 12.922158\nH C N O\n24 4 8 12\ndirect\n0.814920 0.357561 0.748316 H\n0.685080 0.857561 0.751684 H\n0.314920 0.642439 0.751684 H\n0.185080 0.142439 0.748316 H\n0.185080 0.642439 0.251684 H\n0.314920 0.142439 0.248316 H\n0.685080 0.357561 0.248316 H\n0.814920 0.857561 0.251684 H\n0.683122 0.448776 0.866653 H\n0.816878 0.948776 0.633347 H\n0.183122 0.551224 0.633347 H\n0.316878 0.051224 0.866653 H\n0.316878 0.551224 0.133347 H\n0.183122 0.051224 0.366653 H\n0.816878 0.448776 0.366653 H\n0.683122 0.948776 0.133347 H\n0.763357 0.310231 0.548896 H\n0.736643 0.810231 0.951104 H\n0.263357 0.689769 0.951104 H\n0.236643 0.189769 0.548896 H\n0.236643 0.689769 0.451104 H\n0.263357 0.189769 0.048896 H\n0.736643 0.310231 0.048896 H\n0.763357 0.810231 0.451104 H\n0.000000 0.250000 0.880825 C\n0.500000 0.750000 0.619175 C\n0.000000 0.750000 0.119175 C\n0.500000 0.250000 0.380825 C\n0.821046 0.362929 0.827514 N\n0.678954 0.862929 0.672486 N\n0.321046 0.637071 0.672486 N\n0.178954 0.137071 0.827514 N\n0.178954 0.637071 0.172486 N\n0.321046 0.137071 0.327514 N\n0.678954 0.362929 0.327514 N\n0.821046 0.862929 0.172486 N\n0.919656 0.342230 0.599131 O\n0.580344 0.842230 0.900869 O\n0.419656 0.657770 0.900869 O\n0.080344 0.157770 0.599131 O\n0.080344 0.657770 0.400869 O\n0.419656 0.157770 0.099131 O\n0.580344 0.342230 0.099131 O\n0.919656 0.842230 0.400869 O\n0.000000 0.250000 0.980188 O\n0.500000 0.750000 0.519812 O\n0.000000 0.750000 0.019812 O\n0.500000 0.250000 0.480188 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O",
"density": 1.4780082166852833,
"density_atomic": 0.11354241571823612,
"volume": 422.7495046354795,
"volume_molar": 5.303868798198188,
"formula_full": "H24 C4 N8 O12",
"formula_reduced": "H6CN2O3",
"formula_anonymous": "AB2C3D6",
"energy": -281.8377738,
"energy_per_atom": -5.8716202875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.7057738,
"band_gap": 4.4935,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001162,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:45.130000Z",
"spacegroup": 60
},
{
"id": "mp-1279528",
"created_at": "2022-09-04T14:42:19.340028Z",
"structure_string": "Na16 Fe4 O20\n1.0\n3.639792 3.625949 2.417500\n3.672001 -3.662546 2.426908\n7.256569 -0.015097 -14.443061\nNa Fe O\n16 4 20\ndirect\n0.705310 0.503054 0.692591 Na\n0.957214 0.746406 0.447546 Na\n0.441768 0.246222 0.945824 Na\n0.180742 0.987215 0.202247 Na\n0.595641 0.016005 0.596788 Na\n0.837033 0.245811 0.348510 Na\n0.342344 0.760508 0.847165 Na\n0.090820 0.502856 0.105681 Na\n0.902001 0.489905 0.895863 Na\n0.155619 0.747707 0.643044 Na\n0.646793 0.229540 0.153122 Na\n0.402032 0.998510 0.398262 Na\n0.809826 0.009018 0.799058 Na\n0.068797 0.260846 0.549297 Na\n0.553557 0.744270 0.056660 Na\n0.296656 0.496503 0.300960 Na\n0.272314 0.286819 0.738361 Fe\n0.527666 0.534952 0.482262 Fe\n0.997621 0.995355 0.000566 Fe\n0.727414 0.723081 0.265828 Fe\n0.361762 0.365318 0.647284 O\n0.625130 0.626058 0.374925 O\n0.092735 0.094094 0.906303 O\n0.901140 0.899707 0.095005 O\n0.511636 0.360278 0.811744 O\n0.770003 0.621533 0.557827 O\n0.256773 0.104988 0.062583 O\n0.994357 0.851316 0.310860 O\n0.422285 0.967867 0.733226 O\n0.687277 0.218928 0.482241 O\n0.188776 0.695851 0.981387 O\n0.929247 0.441930 0.233361 O\n0.060149 0.548841 0.767828 O\n0.320015 0.806099 0.516595 O\n0.806847 0.296034 0.019567 O\n0.553326 0.032276 0.267591 O\n0.016588 0.137775 0.693797 O\n0.265069 0.391032 0.440012 O\n0.739617 0.886812 0.937634 O\n0.486099 0.628681 0.190593 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 2.949791596157512,
"density_atomic": 0.07798058040571433,
"volume": 512.9482211069674,
"volume_molar": 7.722615975244401,
"formula_full": "Na16 Fe4 O20",
"formula_reduced": "Na4FeO5",
"formula_anonymous": "AB4C5",
"energy": -212.86793327,
"energy_per_atom": -5.32169833175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.10393327,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.027606,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.327000Z",
"spacegroup": 1
},
{
"id": "mp-1210417",
"created_at": "2022-09-04T14:42:19.341550Z",
"structure_string": "Na3 Eu2 Si2 Se6\n1.0\n6.239190 3.604745 0.000000\n-6.239190 3.604745 0.000000\n0.000000 2.399591 7.558006\nNa Eu Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.672618 0.327382 0.000000 Na\n0.327382 0.672618 0.000000 Na\n0.833751 0.166249 0.500000 Eu\n0.166249 0.833751 0.500000 Eu\n0.551168 0.551168 0.343748 Si\n0.448832 0.448832 0.656252 Si\n0.581404 0.894583 0.254624 Se\n0.418596 0.105417 0.745376 Se\n0.105417 0.418596 0.745376 Se\n0.894583 0.581404 0.254624 Se\n0.268992 0.268992 0.254934 Se\n0.731008 0.731008 0.745066 Se\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Eu",
"Si",
"Se"
],
"chemical_system": "Eu-Na-Se-Si",
"density": 4.409753136916692,
"density_atomic": 0.03823872163922184,
"volume": 339.96952415547725,
"volume_molar": 15.748802527496185,
"formula_full": "Na3 Eu2 Si2 Se6",
"formula_reduced": "Na3Eu2(SiSe3)2",
"formula_anonymous": "A2B2C3D6",
"energy": -73.31774009,
"energy_per_atom": -5.639826160769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -70.62774009,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.2770951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.129000Z",
"spacegroup": 12
},
{
"id": "mp-631550",
"created_at": "2022-09-04T14:42:19.371663Z",
"structure_string": "Ca1 Bi1 B1\n1.0\n0.000000 3.452943 3.452943\n3.452943 0.000000 3.452943\n3.452943 3.452943 0.000000\nCa Bi B\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"B"
],
"chemical_system": "B-Bi-Ca",
"density": 5.2409017460709055,
"density_atomic": 0.03643535718527353,
"volume": 82.3376036838344,
"volume_molar": 16.52828797417151,
"formula_full": "Ca1 Bi1 B1",
"formula_reduced": "CaBiB",
"formula_anonymous": "ABC",
"energy": -9.74000916,
"energy_per_atom": -3.24666972,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.74000916,
"band_gap": 0.0777999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.510000Z",
"spacegroup": 216
},
{
"id": "mp-1217831",
"created_at": "2022-09-04T14:42:19.411913Z",
"structure_string": "Tb10 Si3 Sb3\n1.0\n4.380938 -7.588008 0.000000\n4.380938 7.588008 0.000000\n0.000000 0.000000 6.399106\nTb Si Sb\n10 3 3\ndirect\n0.757042 0.000000 0.000000 Tb\n0.000000 0.757042 0.000000 Tb\n0.242958 0.242958 0.000000 Tb\n0.243469 0.000000 0.500000 Tb\n0.000000 0.243469 0.500000 Tb\n0.756531 0.756531 0.500000 Tb\n0.333333 0.666667 0.259656 Tb\n0.666667 0.333333 0.259656 Tb\n0.666667 0.333333 0.740344 Tb\n0.333333 0.666667 0.740344 Tb\n0.608890 0.000000 0.500000 Si\n0.000000 0.608890 0.500000 Si\n0.391110 0.391110 0.500000 Si\n0.394436 0.000000 0.000000 Sb\n0.000000 0.394436 0.000000 Sb\n0.605564 0.605564 0.000000 Sb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Tb",
"Si",
"Sb"
],
"chemical_system": "Sb-Si-Tb",
"density": 7.957513887864753,
"density_atomic": 0.03760761530039834,
"volume": 425.44574741569767,
"volume_molar": 16.01308860425461,
"formula_full": "Tb10 Si3 Sb3",
"formula_reduced": "Tb10(SiSb)3",
"formula_anonymous": "A3B3C10",
"energy": -88.19893076999999,
"energy_per_atom": -5.512433173124999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.62293077,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0114707,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.151000Z",
"spacegroup": 189
},
{
"id": "mp-22742",
"created_at": "2022-09-04T14:42:20.389664Z",
"structure_string": "Eu2 Sn4 Ir2\n1.0\n2.195430 -5.648701 0.000000\n2.195430 5.648701 0.000000\n0.000000 0.000000 7.660269\nEu Sn Ir\n2 4 2\ndirect\n0.063961 0.936039 0.250000 Eu\n0.936039 0.063961 0.750000 Eu\n0.648260 0.351740 0.547754 Sn\n0.351740 0.648260 0.452246 Sn\n0.648260 0.351740 0.952246 Sn\n0.351740 0.648260 0.047754 Sn\n0.212985 0.787015 0.750000 Ir\n0.787015 0.212985 0.250000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Eu",
"Sn",
"Ir"
],
"chemical_system": "Eu-Ir-Sn",
"density": 10.166279367477083,
"density_atomic": 0.042106368715038686,
"volume": 189.99501130437602,
"volume_molar": 14.302208772159295,
"formula_full": "Eu2 Sn4 Ir2",
"formula_reduced": "EuSn2Ir",
"formula_anonymous": "ABC2",
"energy": -59.07227541,
"energy_per_atom": -7.38403442625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.07227541,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.7823928,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.861000Z",
"spacegroup": 63
},
{
"id": "mp-1221276",
"created_at": "2022-09-04T14:42:20.404938Z",
"structure_string": "Na2 Tb1 O3\n1.0\n-1.722868 2.342008 5.259702\n1.722868 -2.342008 5.259702\n1.722868 2.342008 -5.259702\nNa Tb O\n2 1 3\ndirect\n0.675249 0.675249 0.000000 Na\n0.324751 0.324751 0.000000 Na\n0.000000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 O\n0.144412 0.644412 0.500000 O\n0.855588 0.355588 0.500000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"Tb",
"O"
],
"chemical_system": "Na-O-Tb",
"density": 4.946997848668457,
"density_atomic": 0.07067889339910385,
"volume": 84.89097255838013,
"volume_molar": 8.520423099997707,
"formula_full": "Na2 Tb1 O3",
"formula_reduced": "Na2TbO3",
"formula_anonymous": "AB2C3",
"energy": -36.75554589,
"energy_per_atom": -6.125924315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.69454589,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.998000Z",
"spacegroup": 71
},
{
"id": "mp-1178187",
"created_at": "2022-09-04T14:42:21.369916Z",
"structure_string": "Hf4 N4 O2\n1.0\n5.441027 -0.049141 0.044809\n-2.693417 1.635474 4.881460\n2.763071 -4.785780 0.000000\nHf N O\n4 4 2\ndirect\n0.122635 0.428661 0.134412 Hf\n0.349369 0.069757 0.371468 Hf\n0.622635 0.928661 0.671613 Hf\n0.849369 0.569757 0.848920 Hf\n0.245958 0.735250 0.947941 N\n0.745958 0.235250 0.041352 N\n0.461915 0.253209 0.745347 N\n0.961915 0.753209 0.545948 N\n0.070124 0.263122 0.441751 O\n0.570124 0.763122 0.251247 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.50065551022843,
"density_atomic": 0.07884982670102604,
"volume": 126.82336053720044,
"volume_molar": 7.637481288112502,
"formula_full": "Hf4 N4 O2",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy": -107.68272222,
"energy_per_atom": -10.768272222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.86472222,
"band_gap": 2.4934000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.774000Z",
"spacegroup": 9
},
{
"id": "mp-1221003",
"created_at": "2022-09-04T14:42:21.413072Z",
"structure_string": "Nd2 Ag2 H36 C40 N12 O24\n1.0\n6.939755 -0.212930 1.557589\n1.216083 12.059421 2.204652\n0.143421 -0.131772 14.754217\nNd Ag H C N O\n2 2 36 40 12 24\ndirect\n0.832825 0.482271 0.304273 Nd\n0.167175 0.517729 0.695727 Nd\n0.735408 0.076836 0.990332 Ag\n0.264592 0.923164 0.009668 Ag\n0.873506 0.106384 0.748542 H\n0.126494 0.893616 0.251458 H\n0.099241 0.222518 0.210721 H\n0.900759 0.777482 0.789279 H\n0.185577 0.330606 0.391534 H\n0.814423 0.669394 0.608466 H\n0.820716 0.064005 0.350305 H\n0.179284 0.935995 0.649695 H\n0.413655 0.577937 0.343445 H\n0.586345 0.422063 0.656555 H\n0.346935 0.327923 0.175049 H\n0.653065 0.672077 0.824951 H\n0.370512 0.941975 0.762355 H\n0.629488 0.058025 0.237645 H\n0.689840 0.213678 0.602106 H\n0.310160 0.786322 0.397894 H\n0.431963 0.579305 0.447301 H\n0.568037 0.420695 0.552699 H\n0.848576 0.435248 0.966976 H\n0.151424 0.564752 0.033024 H\n0.853874 0.652247 0.441704 H\n0.146126 0.347753 0.558296 H\n0.296611 0.405258 0.301626 H\n0.703389 0.594742 0.698374 H\n0.694262 0.859574 0.621597 H\n0.305738 0.140426 0.378403 H\n0.583297 0.701153 0.251203 H\n0.416703 0.298847 0.748797 H\n0.152776 0.211345 0.920099 H\n0.847224 0.788655 0.079901 H\n0.425253 0.268095 0.888120 H\n0.574747 0.731905 0.111880 H\n0.751607 0.748330 0.285622 H\n0.248393 0.251670 0.714378 H\n0.057059 0.600893 0.391127 H\n0.942941 0.399107 0.608873 H\n0.430764 0.332333 0.103085 C\n0.569236 0.667667 0.896915 C\n0.077968 0.202568 0.145159 C\n0.922032 0.797432 0.854841 C\n0.678098 0.424509 0.153463 C\n0.321902 0.575491 0.846537 C\n0.782253 0.055192 0.426926 C\n0.217747 0.944808 0.573074 C\n0.709662 0.140183 0.568258 C\n0.290338 0.859817 0.431742 C\n0.713760 0.394049 0.985580 C\n0.286240 0.605951 0.014420 C\n0.783185 0.846367 0.434874 C\n0.216815 0.153633 0.565126 C\n0.606836 0.382328 0.078638 C\n0.393164 0.617672 0.921362 C\n0.645057 0.354540 0.916436 C\n0.354943 0.645460 0.083564 C\n0.105874 0.196897 0.996348 C\n0.894126 0.803103 0.003652 C\n0.483789 0.979066 0.782419 C\n0.516211 0.020934 0.217581 C\n0.366700 0.290000 0.034675 C\n0.633300 0.710000 0.965325 C\n0.739492 0.065338 0.776168 C\n0.260508 0.934662 0.223832 C\n0.687043 0.035653 0.620962 C\n0.312957 0.964347 0.379038 C\n0.474142 0.300058 0.942181 C\n0.525858 0.699942 0.057819 C\n0.777794 0.263187 0.413247 C\n0.222206 0.736813 0.586753 C\n0.710902 0.940778 0.578920 C\n0.289098 0.059222 0.421080 C\n0.757120 0.150154 0.470175 C\n0.242880 0.849846 0.529825 C\n0.746787 0.372923 0.813404 C\n0.253213 0.627077 0.186596 C\n0.759029 0.950163 0.480501 C\n0.240971 0.049837 0.519499 C\n0.639144 0.026206 0.721590 N\n0.360856 0.973794 0.278410 N\n0.650952 0.042859 0.865462 N\n0.349048 0.957141 0.134538 N\n0.191728 0.234582 0.057767 N\n0.808272 0.765418 0.942233 N\n0.933908 0.147733 0.138602 N\n0.066092 0.852267 0.861398 N\n0.952544 0.144502 0.043978 N\n0.047456 0.855498 0.956022 N\n0.488627 0.988304 0.869595 N\n0.511373 0.011696 0.130405 N\n0.724567 0.696822 0.245272 O\n0.275433 0.303178 0.754728 O\n0.825323 0.272734 0.323966 O\n0.174677 0.727266 0.676034 O\n0.559624 0.439405 0.230987 O\n0.440376 0.560595 0.769013 O\n0.749167 0.348225 0.455740 O\n0.250833 0.651775 0.544260 O\n0.855318 0.444384 0.138960 O\n0.144682 0.555616 0.861040 O\n0.921222 0.585156 0.411793 O\n0.078778 0.414844 0.588207 O\n0.779341 0.754301 0.490853 O\n0.220659 0.245699 0.509147 O\n0.169952 0.375468 0.331161 O\n0.830048 0.624532 0.668839 O\n0.803729 0.856982 0.346288 O\n0.196271 0.143018 0.653712 O\n0.489397 0.544384 0.391065 O\n0.510603 0.455616 0.608935 O\n0.895096 0.428384 0.793815 O\n0.104904 0.571616 0.206185 O\n0.678451 0.334388 0.753689 O\n0.321549 0.665612 0.246311 O\n",
"nsites": 116,
"nelements": 6,
"elements": [
"Nd",
"Ag",
"H",
"C",
"N",
"O"
],
"chemical_system": "Ag-C-H-N-Nd-O",
"density": 2.110563484183268,
"density_atomic": 0.09372997966808716,
"volume": 1237.597622561901,
"volume_molar": 6.424988868369931,
"formula_full": "Nd2 Ag2 H36 C40 N12 O24",
"formula_reduced": "NdAgH18C20(NO2)6",
"formula_anonymous": "ABC6D12E18F20",
"energy": -803.1653860700001,
"energy_per_atom": -6.923839535086207,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -786.67738607,
"band_gap": 3.0325,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.065000Z",
"spacegroup": 2
},
{
"id": "mp-1210603",
"created_at": "2022-09-04T14:42:21.439529Z",
"structure_string": "Mg2 Zn4 P4 O16\n1.0\n8.407109 0.000000 0.000000\n0.000000 5.134165 0.000000\n0.000000 4.427496 7.649959\nMg Zn P O\n2 4 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.361671 0.963911 0.120263 Zn\n0.638329 0.036089 0.879737 Zn\n0.861671 0.036089 0.379737 Zn\n0.138329 0.963911 0.620263 Zn\n0.691820 0.662805 0.300921 P\n0.308180 0.337195 0.699079 P\n0.191820 0.337195 0.199079 P\n0.808180 0.662805 0.800921 P\n0.699880 0.317551 0.379857 O\n0.300120 0.682449 0.620143 O\n0.199880 0.682449 0.120143 O\n0.800120 0.317551 0.879857 O\n0.859148 0.817981 0.242848 O\n0.140852 0.182019 0.757152 O\n0.359148 0.182019 0.257152 O\n0.640852 0.817981 0.742848 O\n0.579112 0.793429 0.138437 O\n0.420888 0.206571 0.861563 O\n0.079112 0.206571 0.361563 O\n0.920888 0.793429 0.638437 O\n0.628145 0.741587 0.436199 O\n0.371855 0.258413 0.563801 O\n0.128145 0.258413 0.063801 O\n0.871855 0.741587 0.936199 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Zn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Zn",
"density": 3.4706059564959553,
"density_atomic": 0.07874042244675854,
"volume": 330.1988888563593,
"volume_molar": 7.648093028802273,
"formula_full": "Mg2 Zn4 P4 O16",
"formula_reduced": "MgZn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -176.75682098,
"energy_per_atom": -6.798339268461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.76482098,
"band_gap": 3.964,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013018,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.188000Z",
"spacegroup": 14
},
{
"id": "mp-1207463",
"created_at": "2022-09-04T14:42:21.629107Z",
"structure_string": "Zn6 Sn4 Pt4\n1.0\n2.208388 -3.825039 0.000000\n2.208388 3.825039 0.000000\n0.000000 0.000000 15.586214\nZn Sn Pt\n6 4 4\ndirect\n0.000000 0.000000 0.169199 Zn\n0.000000 0.000000 0.830801 Zn\n0.000000 0.000000 0.669199 Zn\n0.000000 0.000000 0.330801 Zn\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333333 0.666667 0.071440 Sn\n0.666667 0.333333 0.928560 Sn\n0.666667 0.333333 0.571440 Sn\n0.333333 0.666667 0.428560 Sn\n0.000000 0.000000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.333333 0.666667 0.250000 Pt\n0.666667 0.333333 0.750000 Pt\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Sn",
"Pt"
],
"chemical_system": "Pt-Sn-Zn",
"density": 10.390271879500935,
"density_atomic": 0.05316749011641385,
"volume": 263.31880570901586,
"volume_molar": 11.326735090962751,
"formula_full": "Zn6 Sn4 Pt4",
"formula_reduced": "Zn3(SnPt)2",
"formula_anonymous": "A2B2C3",
"energy": -54.20711075,
"energy_per_atom": -3.871936482142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.20711075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:43.803000Z",
"spacegroup": 194
},
{
"id": "mp-1101243",
"created_at": "2022-09-04T14:42:17.024101Z",
"structure_string": "V6 Si6 O20\n1.0\n4.822496 0.000000 0.000000\n-2.397393 7.614539 0.000000\n-0.079295 -0.189000 10.648754\nV Si O\n6 6 20\ndirect\n0.600178 0.694836 0.725152 V\n0.917408 0.307395 0.776188 V\n0.000000 0.500000 0.500000 V\n0.082592 0.692605 0.223812 V\n0.500000 0.500000 0.000000 V\n0.399822 0.305164 0.274848 V\n0.535093 0.695796 0.408598 Si\n0.152750 0.697953 0.911746 Si\n0.808542 0.000059 0.252022 Si\n0.847250 0.302047 0.088254 Si\n0.464907 0.304204 0.591402 Si\n0.191458 0.999941 0.747978 Si\n0.508592 0.864044 0.322360 O\n0.389475 0.678834 0.547145 O\n0.274986 0.534440 0.333923 O\n0.065962 0.130005 0.836585 O\n0.192762 0.324985 0.095920 O\n0.141199 0.325267 0.602879 O\n0.044856 0.121335 0.344282 O\n0.234381 0.528501 0.837803 O\n0.290443 0.681778 0.050677 O\n0.342960 0.872113 0.833663 O\n0.657040 0.127887 0.166337 O\n0.709557 0.318222 0.949323 O\n0.765619 0.471499 0.162197 O\n0.955144 0.878665 0.655718 O\n0.858801 0.674733 0.397121 O\n0.807238 0.675015 0.904080 O\n0.934038 0.869995 0.163415 O\n0.725014 0.465560 0.666077 O\n0.610525 0.321166 0.452855 O\n0.491408 0.135956 0.677640 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"V",
"Si",
"O"
],
"chemical_system": "O-Si-V",
"density": 3.37238657558545,
"density_atomic": 0.08183436040980997,
"volume": 391.0337887380124,
"volume_molar": 7.358939117801293,
"formula_full": "V6 Si6 O20",
"formula_reduced": "V3Si3O10",
"formula_anonymous": "A3B3C10",
"energy": -275.65860031,
"energy_per_atom": -8.6143312596875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.71860031,
"band_gap": 0.4574999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.960000Z",
"spacegroup": 2
}
]
}