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=-is_magnetic&page=29",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=27",
"results": [
{
"id": "mp-1197521",
"created_at": "2022-09-04T14:40:13.640097Z",
"structure_string": "H12 Pb2 C20 N16 O14\n1.0\n7.378833 -0.138842 0.720444\n0.061699 8.648118 0.358179\n0.445778 -0.167826 12.113339\nH Pb C N O\n12 2 20 16 14\ndirect\n0.902026 0.140614 0.841405 H\n0.097974 0.859386 0.158595 H\n0.116794 0.159539 0.425586 H\n0.883206 0.840461 0.574414 H\n0.288579 0.585400 0.529510 H\n0.711421 0.414600 0.470490 H\n0.248899 0.180687 0.042572 H\n0.751101 0.819313 0.957428 H\n0.606616 0.382313 0.684922 H\n0.393384 0.617687 0.315078 H\n0.443705 0.941122 0.601395 H\n0.556295 0.058878 0.398605 H\n0.194120 0.648257 0.905301 Pb\n0.805880 0.351743 0.094699 Pb\n0.990888 0.148885 0.669057 C\n0.009112 0.851115 0.330943 C\n0.233865 0.385696 0.438788 C\n0.766135 0.614304 0.561212 C\n0.024542 0.354459 0.805360 C\n0.975458 0.645541 0.194640 C\n0.147565 0.397714 0.625461 C\n0.852435 0.602286 0.374539 C\n0.089385 0.254473 0.589944 C\n0.910615 0.745527 0.410056 C\n0.287209 0.991730 0.938647 C\n0.712791 0.008270 0.061353 C\n0.423189 0.045524 0.761819 C\n0.576811 0.954476 0.238181 C\n0.476444 0.195267 0.788799 C\n0.523556 0.804733 0.211201 C\n0.427260 0.249208 0.899324 C\n0.572740 0.750792 0.100676 C\n0.551915 0.171192 0.604686 C\n0.448085 0.828808 0.395314 C\n0.967320 0.209658 0.776949 N\n0.032680 0.790342 0.223051 N\n0.121735 0.449833 0.728366 N\n0.878265 0.550167 0.271634 N\n0.142699 0.248991 0.476091 N\n0.857301 0.751009 0.523909 N\n0.234202 0.475500 0.532850 N\n0.765798 0.524500 0.467150 N\n0.325826 0.139245 0.968675 N\n0.674174 0.860755 0.031325 N\n0.338365 0.941520 0.832609 N\n0.661635 0.058480 0.167391 N\n0.557154 0.268723 0.693313 N\n0.442846 0.731277 0.306687 N\n0.472018 0.033363 0.648884 N\n0.527982 0.966637 0.351116 N\n0.989023 0.399566 0.904766 O\n0.010977 0.600434 0.095234 O\n0.927589 0.019217 0.651352 O\n0.072411 0.980783 0.348648 O\n0.302396 0.423821 0.342801 O\n0.697604 0.576179 0.657199 O\n0.201256 0.898881 0.010293 O\n0.798744 0.101119 0.989707 O\n0.463834 0.379186 0.931770 O\n0.536166 0.620814 0.068230 O\n0.605572 0.203356 0.504313 O\n0.394428 0.796644 0.495687 O\n0.932148 0.761256 0.867521 O\n0.067852 0.238744 0.132479 O\n",
"nsites": 64,
"nelements": 5,
"elements": [
"H",
"Pb",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-Pb",
"density": 2.401858958859377,
"density_atomic": 0.08303826569131739,
"volume": 770.729006286218,
"volume_molar": 7.252247755735204,
"formula_full": "H12 Pb2 C20 N16 O14",
"formula_reduced": "H6PbC10N8O7",
"formula_anonymous": "AB6C7D8E10",
"energy": -476.5839349,
"energy_per_atom": -7.4466239828125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -461.1899349,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000599,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.431000Z",
"spacegroup": 2
},
{
"id": "mp-696788",
"created_at": "2022-09-04T14:40:14.684736Z",
"structure_string": "Co2 P8 H20 O32\n1.0\n0.063517 0.051036 7.220442\n8.326520 -0.098524 -1.502511\n-1.554943 10.563335 -0.485619\nCo P H O\n2 8 20 32\ndirect\n0.499999 0.500000 0.750000 Co\n0.500001 0.500001 0.250001 Co\n0.325740 0.278906 0.467222 P\n0.326221 0.278822 0.966471 P\n0.674260 0.721091 0.032777 P\n0.673779 0.721180 0.533529 P\n0.819168 0.258109 0.273058 P\n0.820112 0.258323 0.773780 P\n0.180832 0.741891 0.226941 P\n0.179887 0.741676 0.726221 P\n0.583280 0.238006 0.064893 H\n0.582572 0.238067 0.566831 H\n0.416722 0.761997 0.435108 H\n0.417429 0.761933 0.933167 H\n0.078904 0.163405 0.052016 H\n0.078799 0.163306 0.552755 H\n0.921097 0.836601 0.447986 H\n0.921200 0.836688 0.947242 H\n0.631418 0.096160 0.364058 H\n0.632029 0.095471 0.863532 H\n0.368581 0.903840 0.135940 H\n0.367968 0.904535 0.636474 H\n0.127034 0.266441 0.259670 H\n0.127773 0.268137 0.759641 H\n0.872967 0.733561 0.240331 H\n0.872224 0.731858 0.740358 H\n0.804818 0.464333 0.418683 H\n0.806372 0.464540 0.918901 H\n0.195185 0.535668 0.081316 H\n0.193626 0.535459 0.581097 H\n0.504630 0.194718 0.482262 O\n0.504840 0.194210 0.980559 O\n0.495373 0.805284 0.017736 O\n0.495160 0.805790 0.519442 O\n0.146302 0.145575 0.474097 O\n0.147052 0.145461 0.973714 O\n0.853701 0.854421 0.025902 O\n0.852947 0.854542 0.526287 O\n0.316518 0.322273 0.333204 O\n0.315213 0.323617 0.832890 O\n0.683481 0.677728 0.166797 O\n0.684786 0.676381 0.667109 O\n0.339043 0.419771 0.076113 O\n0.337432 0.420158 0.576609 O\n0.660961 0.580233 0.423887 O\n0.662563 0.579837 0.923391 O\n0.730993 0.084925 0.303053 O\n0.732570 0.084635 0.803250 O\n0.269006 0.915075 0.196944 O\n0.267424 0.915367 0.696753 O\n0.000725 0.231695 0.203651 O\n0.001103 0.232225 0.703559 O\n0.999276 0.768306 0.296349 O\n0.998895 0.767770 0.796442 O\n0.884713 0.375514 0.399565 O\n0.886242 0.375392 0.900456 O\n0.115287 0.624485 0.100435 O\n0.113758 0.624609 0.599542 O\n0.681301 0.325016 0.192222 O\n0.681002 0.325382 0.694039 O\n0.318701 0.674986 0.307778 O\n0.319000 0.674618 0.805960 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-O-P",
"density": 2.346609275677127,
"density_atomic": 0.09759007849444322,
"volume": 635.310483980503,
"volume_molar": 6.170853485216637,
"formula_full": "Co2 P8 H20 O32",
"formula_reduced": "CoP4(H5O8)2",
"formula_anonymous": "AB4C10D16",
"energy": -402.72592008,
"energy_per_atom": -6.495579356129032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -377.46592008,
"band_gap": 3.3954,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.834000Z",
"spacegroup": 2
},
{
"id": "mp-849298",
"created_at": "2022-09-04T14:40:13.441551Z",
"structure_string": "Li2 Mn6 B6 O18\n1.0\n6.173777 0.000000 0.000000\n-0.880412 7.717293 0.000000\n-2.722273 -3.714481 7.841594\nLi Mn B O\n2 6 6 18\ndirect\n0.655640 0.329232 0.056009 Li\n0.344360 0.670768 0.943991 Li\n0.345613 0.602211 0.590490 Mn\n0.299108 0.031562 0.711996 Mn\n0.035092 0.279907 0.939497 Mn\n0.964908 0.720093 0.060503 Mn\n0.700892 0.968438 0.288004 Mn\n0.654387 0.397789 0.409510 Mn\n0.691172 0.961451 0.940496 B\n0.612555 0.361693 0.725919 B\n0.941936 0.695923 0.379326 B\n0.058064 0.304077 0.620674 B\n0.387445 0.638307 0.274081 B\n0.308828 0.038549 0.059504 B\n0.527003 0.889560 0.772777 O\n0.382537 0.519528 0.360888 O\n0.839477 0.138636 0.021760 O\n0.322016 0.157002 0.975165 O\n0.765724 0.430731 0.893992 O\n0.107505 0.749239 0.541058 O\n0.466418 0.183238 0.637758 O\n0.791137 0.516422 0.287654 O\n0.946458 0.827187 0.308526 O\n0.053542 0.172813 0.691474 O\n0.208863 0.483578 0.712346 O\n0.533582 0.816762 0.362242 O\n0.892495 0.250761 0.458942 O\n0.234276 0.569269 0.106008 O\n0.677984 0.842998 0.024835 O\n0.160523 0.861364 0.978240 O\n0.617463 0.480472 0.639112 O\n0.472997 0.110440 0.227223 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.0950384228231593,
"density_atomic": 0.08565045959003392,
"volume": 373.61153872574715,
"volume_molar": 7.031066486770751,
"formula_full": "Li2 Mn6 B6 O18",
"formula_reduced": "LiMn3(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -264.42589159,
"energy_per_atom": -8.2633091121875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -242.05189159,
"band_gap": 0.0827,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 26.0005386,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.523000Z",
"spacegroup": 2
},
{
"id": "mp-1234713",
"created_at": "2022-09-04T14:40:14.313670Z",
"structure_string": "Rb4 Mg1 V4 Cu2 P4 O24\n1.0\n5.349504 0.056924 0.012303\n-0.534146 9.778584 -0.045756\n0.024539 -0.057392 11.397343\nRb Mg V Cu P O\n4 1 4 2 4 24\ndirect\n0.465473 0.098958 0.340366 Rb\n0.546171 0.825425 0.648044 Rb\n0.572482 0.397142 0.879971 Rb\n0.449591 0.623190 0.153345 Rb\n0.055169 0.994807 0.613794 Mg\n0.083760 0.752570 0.895954 V\n0.941439 0.246009 0.107964 V\n0.941160 0.746394 0.393462 V\n0.034387 0.262608 0.608359 V\n0.510873 0.006008 0.001868 Cu\n0.502232 0.500121 0.493579 Cu\n0.050211 0.098899 0.859389 P\n0.980404 0.919492 0.138750 P\n0.967611 0.415367 0.357868 P\n0.023428 0.583526 0.641352 P\n0.054360 0.070514 0.173631 O\n0.052098 0.318261 0.259361 O\n0.106635 0.867827 0.493177 O\n0.639351 0.277338 0.117403 O\n0.820704 0.143372 0.558978 O\n0.919023 0.641787 0.975148 O\n0.862801 0.109831 0.963485 O\n0.938360 0.437071 0.682025 O\n0.973314 0.690038 0.740366 O\n0.848136 0.621937 0.539889 O\n0.684397 0.397218 0.380858 O\n0.118576 0.366205 0.469425 O\n0.064598 0.825892 0.236692 O\n0.146030 0.887009 0.025398 O\n0.637546 0.769076 0.372091 O\n0.325867 0.116590 0.895066 O\n0.085436 0.358745 0.020884 O\n0.698367 0.899821 0.111729 O\n0.292242 0.167166 0.608269 O\n0.375742 0.702841 0.886860 O\n0.008362 0.955716 0.791839 O\n0.303594 0.587867 0.610612 O\n0.057402 0.563402 0.328865 O\n0.975168 0.212294 0.773885 O\n",
"nsites": 39,
"nelements": 6,
"elements": [
"Rb",
"Mg",
"V",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-Mg-O-P-Rb-V",
"density": 3.3540700929552574,
"density_atomic": 0.06537794833455818,
"volume": 596.5314145440224,
"volume_molar": 9.211272169605163,
"formula_full": "Rb4 Mg1 V4 Cu2 P4 O24",
"formula_reduced": "Rb4MgV4Cu2(PO6)4",
"formula_anonymous": "AB2C4D4E4F24",
"energy": -282.67467126,
"energy_per_atom": -7.248068493846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -259.38667126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.131000Z",
"spacegroup": 1
},
{
"id": "mp-1204904",
"created_at": "2022-09-04T14:40:14.340537Z",
"structure_string": "Nd12 Ru4 O28\n1.0\n-0.010422 7.509054 0.000000\n0.000000 0.000000 7.609594\n10.971689 -0.012464 0.000000\nNd Ru O\n12 4 28\ndirect\n0.000000 0.500000 0.000000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.500000 0.000000 0.500000 Nd\n0.308959 0.250000 0.223971 Nd\n0.691041 0.750000 0.776029 Nd\n0.301132 0.250000 0.781852 Nd\n0.698868 0.750000 0.218148 Nd\n0.803653 0.250000 0.717961 Nd\n0.196347 0.750000 0.282039 Nd\n0.807473 0.250000 0.275094 Nd\n0.192527 0.750000 0.724906 Nd\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.416341 0.250000 0.003756 O\n0.583659 0.750000 0.996244 O\n0.918103 0.250000 0.494060 O\n0.081897 0.750000 0.505940 O\n0.032167 0.250000 0.132946 O\n0.967833 0.750000 0.867054 O\n0.018766 0.250000 0.869436 O\n0.981234 0.750000 0.130564 O\n0.517327 0.250000 0.632436 O\n0.482673 0.750000 0.367564 O\n0.533440 0.250000 0.368963 O\n0.466560 0.750000 0.631037 O\n0.321478 0.540111 0.129485 O\n0.678522 0.040111 0.870515 O\n0.678522 0.459889 0.870515 O\n0.321478 0.959889 0.129485 O\n0.308515 0.538572 0.877906 O\n0.691485 0.038572 0.122094 O\n0.691485 0.461428 0.122094 O\n0.308515 0.961428 0.877906 O\n0.798730 0.536750 0.615984 O\n0.201270 0.036750 0.384016 O\n0.201270 0.463250 0.384016 O\n0.798730 0.963250 0.615984 O\n0.835105 0.542847 0.363679 O\n0.164895 0.042847 0.636321 O\n0.164895 0.457153 0.636321 O\n0.835105 0.957153 0.363679 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Nd",
"Ru",
"O"
],
"chemical_system": "Nd-O-Ru",
"density": 6.841984679383122,
"density_atomic": 0.07018319884887421,
"volume": 626.9306717515882,
"volume_molar": 8.580601709203227,
"formula_full": "Nd12 Ru4 O28",
"formula_reduced": "Nd3RuO7",
"formula_anonymous": "AB3C7",
"energy": -368.10756162,
"energy_per_atom": -8.366080945909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -348.87156162,
"band_gap": 0.2383999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0019094,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:53.301000Z",
"spacegroup": 11
},
{
"id": "mp-540440",
"created_at": "2022-09-04T14:40:14.534612Z",
"structure_string": "Fe2 P4 O14\n1.0\n5.368192 0.000114 -0.730704\n1.261347 5.217901 0.730704\n0.027134 -0.034474 9.168703\nFe P O\n2 4 14\ndirect\n0.690461 0.658030 0.492566 Fe\n0.341970 0.309539 0.992566 Fe\n0.802544 0.223561 0.798834 P\n0.190720 0.776373 0.704677 P\n0.776439 0.197456 0.298834 P\n0.223627 0.809280 0.204677 P\n0.666655 0.014708 0.398993 O\n0.598290 0.338262 0.154569 O\n0.014733 0.029422 0.245939 O\n0.661738 0.401710 0.654569 O\n0.379722 0.660763 0.352795 O\n0.103422 0.629217 0.117163 O\n0.875288 0.394845 0.381672 O\n0.605155 0.124712 0.881672 O\n0.365352 0.954044 0.101431 O\n0.970578 0.985267 0.745939 O\n0.045956 0.634648 0.601431 O\n0.370783 0.896578 0.617163 O\n0.985292 0.333345 0.898993 O\n0.339237 0.620278 0.852795 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Fe",
"P",
"O"
],
"chemical_system": "Fe-O-P",
"density": 2.9683860748674005,
"density_atomic": 0.07779350346387905,
"volume": 257.0908766088208,
"volume_molar": 7.741187235250551,
"formula_full": "Fe2 P4 O14",
"formula_reduced": "FeP2O7",
"formula_anonymous": "AB2C7",
"energy": -151.73996093,
"energy_per_atom": -7.5869980465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.60996093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0005257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.075000Z",
"spacegroup": 9
},
{
"id": "mp-1024068",
"created_at": "2022-09-04T14:40:13.655012Z",
"structure_string": "Mg3 V1 O4\n1.0\n4.309108 0.000000 0.000000\n0.000000 4.309108 0.000000\n0.000000 0.000000 4.309108\nMg V O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-V",
"density": 3.8985906649152766,
"density_atomic": 0.09998338820544343,
"volume": 80.01329164362579,
"volume_molar": 6.023141311860579,
"formula_full": "Mg3 V1 O4",
"formula_reduced": "Mg3VO4",
"formula_anonymous": "AB3C4",
"energy": -55.96337205,
"energy_per_atom": -6.99542150625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.51537205,
"band_gap": 1.538400000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000006,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.538000Z",
"spacegroup": 221
},
{
"id": "mp-768173",
"created_at": "2022-09-04T14:40:14.102755Z",
"structure_string": "Li8 Al8 Fe4 O24\n1.0\n-3.270844 -2.802539 4.907074\n4.059213 1.440422 4.906971\n-5.050956 8.725333 0.009763\nLi Al Fe O\n8 8 4 24\ndirect\n0.750221 0.749785 0.624986 Li\n0.250267 0.249718 0.874998 Li\n0.750207 0.749775 0.124988 Li\n0.250289 0.249698 0.374987 Li\n0.395788 0.104189 0.625003 Li\n0.895782 0.604200 0.874995 Li\n0.395797 0.104216 0.124998 Li\n0.895808 0.604197 0.375009 Li\n0.168167 0.831867 0.750023 Al\n0.668048 0.331788 0.999971 Al\n0.168224 0.831963 0.250035 Al\n0.668098 0.331726 0.499927 Al\n0.340164 0.659969 0.500003 Al\n0.840074 0.159740 0.750019 Al\n0.340275 0.659871 0.999971 Al\n0.840015 0.159773 0.249996 Al\n0.500226 0.499492 0.749811 Fe\n0.000463 0.999783 0.000084 Fe\n0.500257 0.499742 0.250023 Fe\n0.000436 0.999805 0.500093 Fe\n0.769691 0.437682 0.688378 O\n0.269847 0.938044 0.938416 O\n0.769628 0.437720 0.188425 O\n0.269914 0.938132 0.438458 O\n0.062096 0.730299 0.561557 O\n0.562018 0.230199 0.811576 O\n0.062286 0.730363 0.061620 O\n0.561820 0.230178 0.311583 O\n0.898742 0.884442 0.805062 O\n0.398672 0.384620 0.055179 O\n0.898867 0.884599 0.305196 O\n0.398713 0.384578 0.555162 O\n0.615470 0.601275 0.444914 O\n0.115390 0.101311 0.694832 O\n0.615532 0.601257 0.944930 O\n0.115390 0.101301 0.194819 O\n0.432364 0.765235 0.678981 O\n0.932308 0.265224 0.928981 O\n0.432502 0.765319 0.179029 O\n0.932215 0.265275 0.428973 O\n0.734764 0.067597 0.570986 O\n0.234797 0.567688 0.821001 O\n0.734752 0.067435 0.070986 O\n0.234735 0.567811 0.321042 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-Li-O",
"density": 3.482002518768348,
"density_atomic": 0.10499517551614873,
"volume": 419.06687410825464,
"volume_molar": 5.73563569030252,
"formula_full": "Li8 Al8 Fe4 O24",
"formula_reduced": "Li2Al2FeO6",
"formula_anonymous": "AB2C2D6",
"energy": -310.4084957,
"energy_per_atom": -7.0547385386363635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -284.8964957,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001007,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.946000Z",
"spacegroup": 5
},
{
"id": "mp-542905",
"created_at": "2022-09-04T14:40:14.115931Z",
"structure_string": "Eu4 Mo6 O24\n1.0\n5.877148 3.922328 0.000000\n-5.877148 3.922328 0.000000\n0.000000 3.776477 11.024662\nEu Mo O\n4 6 24\ndirect\n0.452109 0.195359 0.091844 Eu\n0.804641 0.547891 0.408156 Eu\n0.547891 0.804641 0.908156 Eu\n0.195359 0.452109 0.591844 Eu\n0.621432 0.378568 0.750000 Mo\n0.378568 0.621432 0.250000 Mo\n0.984788 0.697984 0.052525 Mo\n0.302016 0.015212 0.447475 Mo\n0.015212 0.302016 0.947475 Mo\n0.697984 0.984788 0.552525 Mo\n0.552264 0.471303 0.613977 O\n0.528697 0.447736 0.886023 O\n0.447736 0.528697 0.386023 O\n0.471303 0.552264 0.113977 O\n0.891637 0.822166 0.945860 O\n0.177834 0.108363 0.554140 O\n0.108363 0.177834 0.054140 O\n0.822166 0.891637 0.445860 O\n0.288074 0.140771 0.303022 O\n0.859229 0.711926 0.196978 O\n0.711926 0.859229 0.696978 O\n0.140771 0.288074 0.803022 O\n0.172788 0.599373 0.921823 O\n0.400627 0.827212 0.578177 O\n0.827212 0.400627 0.078177 O\n0.599373 0.172788 0.421823 O\n0.487955 0.904067 0.219315 O\n0.095933 0.512045 0.280685 O\n0.512045 0.095933 0.780685 O\n0.904067 0.487955 0.719315 O\n0.866033 0.271832 0.541389 O\n0.728168 0.133967 0.958611 O\n0.133967 0.728168 0.458611 O\n0.271832 0.866033 0.041389 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Eu",
"Mo",
"O"
],
"chemical_system": "Eu-Mo-O",
"density": 5.120893386776725,
"density_atomic": 0.06689183383680626,
"volume": 508.2832694189346,
"volume_molar": 9.002804101158317,
"formula_full": "Eu4 Mo6 O24",
"formula_reduced": "Eu2(MoO4)3",
"formula_anonymous": "A2B3C12",
"energy": -305.6557015,
"energy_per_atom": -8.989873573529412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -269.9557015,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9997566,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:58.044000Z",
"spacegroup": 15
},
{
"id": "mp-1173994",
"created_at": "2022-09-04T14:40:13.657236Z",
"structure_string": "Li6 Co4 O10\n1.0\n2.937114 0.000000 0.000000\n-0.324100 5.920711 0.000000\n-1.278982 -1.371442 10.252045\nLi Co O\n6 4 10\ndirect\n0.904326 0.208229 0.806945 Li\n0.500000 0.000000 0.000000 Li\n0.303078 0.402180 0.603998 Li\n0.696922 0.597820 0.396002 Li\n0.095674 0.791771 0.193055 Li\n0.500000 0.500000 0.000000 Li\n0.905982 0.695807 0.811690 Co\n0.094018 0.304193 0.188310 Co\n0.692814 0.097285 0.395833 Co\n0.307186 0.902715 0.604167 Co\n0.375274 0.931968 0.798578 O\n0.990328 0.746993 0.982277 O\n0.790238 0.134022 0.596494 O\n0.182159 0.331442 0.385926 O\n0.570198 0.530387 0.200344 O\n0.429802 0.469613 0.799656 O\n0.009672 0.253007 0.017723 O\n0.817841 0.668558 0.614074 O\n0.209762 0.865978 0.403506 O\n0.624726 0.068032 0.201422 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.0737622409905985,
"density_atomic": 0.11218242546550988,
"volume": 178.28104462003216,
"volume_molar": 5.368167727708372,
"formula_full": "Li6 Co4 O10",
"formula_reduced": "Li3Co2O5",
"formula_anonymous": "A2B3C5",
"energy": -122.90171027,
"energy_per_atom": -6.1450855135,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.47971027,
"band_gap": 0.2913999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998584,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.740000Z",
"spacegroup": 2
},
{
"id": "mp-1048852",
"created_at": "2022-09-04T14:40:13.284384Z",
"structure_string": "Ca2 La2 Cr4 O12\n1.0\n5.470528 0.000064 0.004563\n0.000065 5.538202 -0.000031\n-0.002531 -0.000046 7.682374\nCa La Cr O\n2 2 4 12\ndirect\n0.489614 0.457620 0.749431 Ca\n0.989621 0.042371 0.249400 Ca\n0.007823 0.967667 0.750298 La\n0.507823 0.532339 0.250297 La\n0.000243 0.499614 0.999513 Cr\n0.000420 0.500213 0.500799 Cr\n0.500248 0.000400 0.499510 Cr\n0.500403 0.999785 0.000797 Cr\n0.072091 0.479202 0.244756 O\n0.572129 0.020834 0.744766 O\n0.419123 0.982511 0.255819 O\n0.919140 0.517435 0.755830 O\n0.212754 0.218287 0.961452 O\n0.221354 0.213822 0.538395 O\n0.712774 0.281708 0.461464 O\n0.721325 0.286178 0.038402 O\n0.282903 0.708220 0.958117 O\n0.293656 0.714746 0.541408 O\n0.782895 0.791782 0.458130 O\n0.793659 0.785264 0.041413 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"La",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-La-O",
"density": 5.407452265409185,
"density_atomic": 0.08592833426096168,
"volume": 232.7520971052531,
"volume_molar": 7.008329454765113,
"formula_full": "Ca2 La2 Cr4 O12",
"formula_reduced": "CaLaCr2O6",
"formula_anonymous": "ABC2D6",
"energy": -169.98929593,
"energy_per_atom": -8.4994647965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.74929593,
"band_gap": 0.4950000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0001631,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.392000Z",
"spacegroup": 31
},
{
"id": "mp-850257",
"created_at": "2022-09-04T14:40:15.310990Z",
"structure_string": "Li6 V4 P8 H4 O32\n1.0\n4.872023 -8.077372 -0.017644\n4.872622 8.077711 -0.033448\n2.968863 -0.006992 7.294486\nLi V P H O\n6 4 8 4 32\ndirect\n0.462799 0.093803 0.353243 Li\n0.046273 0.413196 0.653748 Li\n0.336620 0.207849 0.852057 Li\n0.656629 0.791624 0.155552 Li\n0.956515 0.593112 0.345413 Li\n0.838433 0.702673 0.844058 Li\n0.252029 0.254426 0.488199 V\n0.500703 0.999866 0.997355 V\n0.999185 0.493568 0.003814 V\n0.745958 0.751945 0.500672 V\n0.259251 0.606728 0.269318 P\n0.757442 0.108880 0.265428 P\n0.645053 0.495088 0.229695 P\n0.143527 0.992263 0.233041 P\n0.356600 0.508600 0.760220 P\n0.856376 0.013959 0.764379 P\n0.740437 0.392770 0.733550 P\n0.239703 0.894454 0.739725 P\n0.746796 0.252808 0.497166 H\n0.258134 0.764855 0.516907 H\n0.481355 0.490154 0.982352 H\n0.988433 0.999003 0.993072 H\n0.123180 0.061598 0.054686 O\n0.165245 0.113007 0.354726 O\n0.014206 0.189897 0.645024 O\n0.239545 0.060273 0.687514 O\n0.625556 0.081763 0.153747 O\n0.132834 0.582442 0.164430 O\n0.278578 0.450525 0.318703 O\n0.486039 0.314964 0.349893 O\n0.680282 0.137541 0.436897 O\n0.186112 0.629717 0.447647 O\n0.330694 0.376744 0.652399 O\n0.194567 0.512855 0.808003 O\n0.697957 0.026315 0.821320 O\n0.624384 0.567737 0.050891 O\n0.930468 0.259974 0.140571 O\n0.436847 0.764711 0.145108 O\n0.561116 0.235234 0.851329 O\n0.063508 0.737426 0.851615 O\n0.378637 0.425563 0.937145 O\n0.807043 0.487266 0.190834 O\n0.309500 0.988345 0.190959 O\n0.660912 0.617962 0.339682 O\n0.813192 0.370777 0.552028 O\n0.315021 0.875907 0.556588 O\n0.511518 0.681345 0.644103 O\n0.736799 0.556422 0.687898 O\n0.866194 0.410492 0.838523 O\n0.359826 0.914385 0.857850 O\n0.760144 0.945109 0.309423 O\n0.988085 0.816317 0.353670 O\n0.833594 0.884091 0.665161 O\n0.879503 0.938660 0.946532 O\n",
"nsites": 54,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.912509646884648,
"density_atomic": 0.09384874861357155,
"volume": 575.3939269062455,
"volume_molar": 6.41685781533067,
"formula_full": "Li6 V4 P8 H4 O32",
"formula_reduced": "Li3V2P4(HO8)2",
"formula_anonymous": "A2B2C3D4E16",
"energy": -399.75376202,
"energy_per_atom": -7.402847444814815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -370.96976202,
"band_gap": 0.9344,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999975,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.937000Z",
"spacegroup": 1
}
]
}