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{
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"results": [
{
"id": "mp-1233026",
"created_at": "2022-09-04T14:43:55.230768Z",
"structure_string": "K2 Nd4 Mg1 Nb2 O12\n1.0\n5.833139 0.000000 0.000000\n-2.916569 6.178412 -1.613832\n0.000000 0.178385 8.873752\nK Nd Mg Nb O\n2 4 1 2 12\ndirect\n0.125448 0.250897 0.483004 K\n0.874552 0.749103 0.516996 K\n0.120297 0.240595 0.905936 Nd\n0.581187 0.162372 0.194080 Nd\n0.418813 0.837628 0.805920 Nd\n0.879703 0.759406 0.094064 Nd\n0.500000 0.000000 0.500000 Mg\n0.684133 0.368267 0.729322 Nb\n0.315867 0.631733 0.270678 Nb\n0.016379 0.540531 0.840667 O\n0.220709 0.901925 0.306044 O\n0.245962 0.000000 0.000000 O\n0.779291 0.098075 0.693956 O\n0.681217 0.901925 0.306044 O\n0.754038 0.000000 0.000000 O\n0.318783 0.098075 0.693956 O\n0.983621 0.459469 0.159333 O\n0.657876 0.315750 0.496606 O\n0.342124 0.684250 0.503394 O\n0.475847 0.459469 0.159333 O\n0.524153 0.540531 0.840667 O\n",
"nsites": 21,
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"elements": [
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"Nd",
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],
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"density": 5.461050395607616,
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"volume": 321.4851686294365,
"volume_molar": 9.219185417803823,
"formula_full": "K2 Nd4 Mg1 Nb2 O12",
"formula_reduced": "K2Nd4MgNb2O12",
"formula_anonymous": "AB2C2D4E12",
"energy": -168.55866955,
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"updated_at": "2021-11-28T01:36:19.411000Z",
"spacegroup": 12
},
{
"id": "mp-1522693",
"created_at": "2022-09-04T14:43:55.231356Z",
"structure_string": "Na1 La1 V4 O12\n1.0\n0.000000 -3.644258 -4.231998\n0.000000 -3.644258 4.231998\n-7.408119 0.000000 0.000000\nNa La V O\n1 1 4 12\ndirect\n0.983394 0.016606 0.500000 Na\n0.466630 0.533370 0.000000 La\n0.473535 0.034216 0.256237 V\n0.473535 0.034216 0.743763 V\n0.965784 0.526465 0.743763 V\n0.965784 0.526465 0.256237 V\n0.286306 0.244117 0.248789 O\n0.755883 0.713694 0.248789 O\n0.755883 0.713694 0.751211 O\n0.286306 0.244117 0.751211 O\n0.259885 0.740116 0.221151 O\n0.770358 0.229642 0.278330 O\n0.770358 0.229642 0.721670 O\n0.259885 0.740116 0.778849 O\n0.535602 0.015886 0.000000 O\n0.469525 0.969264 0.500000 O\n0.984114 0.464398 0.000000 O\n0.030736 0.530475 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"La",
"V",
"O"
],
"chemical_system": "La-Na-O-V",
"density": 4.052485172279794,
"density_atomic": 0.07877347237617928,
"volume": 228.50332043307404,
"volume_molar": 7.644884220974201,
"formula_full": "Na1 La1 V4 O12",
"formula_reduced": "NaLaV4O12",
"formula_anonymous": "ABC4D12",
"energy": -147.17701315000002,
"energy_per_atom": -8.176500730555556,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -132.13301315,
"band_gap": 0.5880000000000001,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.459000Z",
"spacegroup": 38
},
{
"id": "mp-1229047",
"created_at": "2022-09-04T14:43:55.232832Z",
"structure_string": "Al4 Co4 W4\n1.0\n2.448522 -4.137606 0.000000\n2.448522 4.137606 0.000000\n0.000000 0.000000 7.759721\nAl Co W\n4 4 4\ndirect\n0.008826 0.991174 0.235958 Al\n0.008826 0.991174 0.764042 Al\n0.651527 0.835351 0.500000 Al\n0.164649 0.348473 0.500000 Al\n0.159534 0.840466 0.500000 Co\n0.350228 0.178833 0.000000 Co\n0.821167 0.649772 0.000000 Co\n0.828112 0.171888 0.000000 Co\n0.666931 0.333069 0.299362 W\n0.335517 0.664483 0.175433 W\n0.335517 0.664483 0.824567 W\n0.666931 0.333069 0.700638 W\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Al",
"Co",
"W"
],
"chemical_system": "Al-Co-W",
"density": 11.395907552750312,
"density_atomic": 0.07632239680667365,
"volume": 157.227766711733,
"volume_molar": 7.890397854320821,
"formula_full": "Al4 Co4 W4",
"formula_reduced": "AlCoW",
"formula_anonymous": "ABC",
"energy": -97.84519626,
"energy_per_atom": -8.153766355,
"energy_above_hull": null,
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"energy_uncorrected": -97.84519626,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.448000Z",
"spacegroup": 38
},
{
"id": "mp-4730",
"created_at": "2022-09-04T14:43:55.233767Z",
"structure_string": "Ga2 Hg1 Se4\n1.0\n-2.940297 2.940297 5.511054\n2.940297 -2.940297 5.511054\n2.940297 2.940297 -5.511054\nGa Hg Se\n2 1 4\ndirect\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Hg\n0.864100 0.401881 0.987920 Se\n0.413960 0.876179 0.012080 Se\n0.123821 0.135900 0.537781 Se\n0.598119 0.586040 0.462219 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Hg",
"Se"
],
"chemical_system": "Ga-Hg-Se",
"density": 5.714704485772671,
"density_atomic": 0.0367300044199111,
"volume": 190.579884499152,
"volume_molar": 16.39569843540622,
"formula_full": "Ga2 Hg1 Se4",
"formula_reduced": "Ga2HgSe4",
"formula_anonymous": "AB2C4",
"energy": -25.757343140000003,
"energy_per_atom": -3.6796204485714292,
"energy_above_hull": null,
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"energy_uncorrected": -23.86934314,
"band_gap": 0.9168,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 9.4e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.924000Z",
"spacegroup": 82
},
{
"id": "mp-997032",
"created_at": "2022-09-04T14:43:55.234770Z",
"structure_string": "Mg2 Au2 O4\n1.0\n2.874312 -5.662353 0.000000\n2.874312 5.662353 0.000000\n0.000000 0.000000 3.082389\nMg Au O\n2 2 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.118611 0.881389 0.500000 O\n0.312419 0.687581 0.000000 O\n0.881389 0.118611 0.500000 O\n0.687581 0.312419 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Au",
"O"
],
"chemical_system": "Au-Mg-O",
"density": 8.383303437102434,
"density_atomic": 0.0797336594072232,
"volume": 100.33403783892136,
"volume_molar": 7.552821236064384,
"formula_full": "Mg2 Au2 O4",
"formula_reduced": "MgAuO2",
"formula_anonymous": "ABC2",
"energy": -42.98622182,
"energy_per_atom": -5.3732777275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -40.23822182,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.517000Z",
"spacegroup": 65
},
{
"id": "mp-1225874",
"created_at": "2022-09-04T14:43:55.250857Z",
"structure_string": "Cs2 Zn2 Co2 F12\n1.0\n-3.693580 3.742486 5.292741\n3.693580 -3.742486 5.292741\n3.693580 3.742486 -5.292741\nCs Zn Co F\n2 2 2 12\ndirect\n0.372796 0.122796 0.250000 Cs\n0.627204 0.877204 0.750000 Cs\n0.000000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.315120 0.565120 0.750000 F\n0.927860 0.177860 0.750000 F\n0.332760 0.196533 0.764859 F\n0.931674 0.567902 0.735141 F\n0.332760 0.567902 0.136228 F\n0.931674 0.196533 0.363772 F\n0.684880 0.434880 0.250000 F\n0.072140 0.822140 0.250000 F\n0.667240 0.803467 0.235141 F\n0.068326 0.432098 0.264859 F\n0.667240 0.432098 0.863772 F\n0.068326 0.803467 0.636228 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Cs",
"Zn",
"Co",
"F"
],
"chemical_system": "Co-Cs-F-Zn",
"density": 4.212920528342597,
"density_atomic": 0.06150694791863173,
"volume": 292.64986491952766,
"volume_molar": 9.790992666335454,
"formula_full": "Cs2 Zn2 Co2 F12",
"formula_reduced": "CsZnCoF6",
"formula_anonymous": "ABCD6",
"energy": -86.90925480000001,
"energy_per_atom": -4.828291933333334,
"energy_above_hull": null,
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"energy_uncorrected": -78.08925480000002,
"band_gap": 1.6216,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.544000Z",
"spacegroup": 74
},
{
"id": "mp-753872",
"created_at": "2022-09-04T14:43:55.216482Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n-0.000152 5.350119 0.001370\n-2.390707 0.002144 8.189971\n8.488819 -0.000353 -0.417063\nLi Mn P O\n2 4 4 16\ndirect\n0.334521 0.513905 0.296256 Li\n0.665626 0.513936 0.796306 Li\n0.685489 0.864235 0.706210 Mn\n0.833529 0.377842 0.390656 Mn\n0.313680 0.864229 0.206393 Mn\n0.166922 0.378120 0.890770 Mn\n0.657263 0.256903 0.010614 P\n0.343271 0.256956 0.510634 P\n0.817801 0.727705 0.323976 P\n0.181704 0.727893 0.823988 P\n0.395235 0.335682 0.064488 O\n0.605316 0.335532 0.564389 O\n0.662576 0.761504 0.187141 O\n0.336570 0.761823 0.687111 O\n0.092193 0.680167 0.263958 O\n0.907355 0.680337 0.764089 O\n0.800283 0.239240 0.164073 O\n0.200386 0.239490 0.664198 O\n0.689493 0.577402 0.366067 O\n0.310511 0.577508 0.865858 O\n0.813988 0.874274 0.488242 O\n0.185488 0.874350 0.988328 O\n0.198053 0.375586 0.436046 O\n0.802436 0.375501 0.936063 O\n0.355668 0.082929 0.385001 O\n0.644644 0.082949 0.884920 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
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"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.778805128891121,
"density_atomic": 0.07091757568854146,
"volume": 366.6227976290081,
"volume_molar": 8.491746512103388,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -205.31225581,
"energy_per_atom": -7.896625223461539,
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"updated_at": "2021-11-28T01:36:24.020000Z",
"spacegroup": 7
},
{
"id": "mp-12107",
"created_at": "2022-09-04T14:43:55.226311Z",
"structure_string": "Ti1 Pt3\n1.0\n3.951971 0.000000 0.000000\n0.000000 3.951971 0.000000\n0.000000 0.000000 3.951971\nTi Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pt-Ti",
"density": 17.033080437507305,
"density_atomic": 0.06480652642332284,
"volume": 61.722178625522865,
"volume_molar": 9.292491192419051,
"formula_full": "Ti1 Pt3",
"formula_reduced": "TiPt3",
"formula_anonymous": "AB3",
"energy": -29.48517859,
"energy_per_atom": -7.3712946475,
"energy_above_hull": null,
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"energy_uncorrected": -29.48517859,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:26.761000Z",
"spacegroup": 221
},
{
"id": "mp-562669",
"created_at": "2022-09-04T14:43:55.231210Z",
"structure_string": "Co4 P16 O44\n1.0\n22.562332 0.000000 0.000000\n0.000000 5.430921 0.000000\n0.000000 2.580318 7.066281\nCo P O\n4 16 44\ndirect\n0.385894 0.996096 0.370270 Co\n0.885894 0.003904 0.129730 Co\n0.614106 0.003904 0.629730 Co\n0.114106 0.996096 0.870270 Co\n0.464565 0.594233 0.208249 P\n0.964565 0.405767 0.291751 P\n0.535435 0.405767 0.791751 P\n0.035435 0.594233 0.708249 P\n0.572069 0.308591 0.186415 P\n0.072069 0.691409 0.313585 P\n0.427931 0.691409 0.813585 P\n0.927931 0.308591 0.686415 P\n0.678211 0.676763 0.054597 P\n0.178211 0.323237 0.445403 P\n0.321789 0.323237 0.945403 P\n0.821789 0.676763 0.554597 P\n0.804443 0.601331 0.969332 P\n0.304443 0.398669 0.530668 P\n0.195557 0.398669 0.030668 P\n0.695557 0.601331 0.469332 P\n0.454820 0.778173 0.311946 O\n0.954820 0.221827 0.188054 O\n0.545180 0.221827 0.688054 O\n0.045180 0.778173 0.811946 O\n0.435012 0.335768 0.251163 O\n0.935012 0.664232 0.248837 O\n0.564988 0.664232 0.748837 O\n0.064988 0.335768 0.751163 O\n0.545544 0.234958 0.017923 O\n0.045544 0.765042 0.482077 O\n0.454456 0.765042 0.982077 O\n0.954456 0.234958 0.517923 O\n0.536875 0.553308 0.201344 O\n0.036875 0.446692 0.298656 O\n0.463125 0.446692 0.798656 O\n0.963125 0.553308 0.701344 O\n0.576242 0.075322 0.358140 O\n0.076242 0.924678 0.141860 O\n0.423758 0.924678 0.641860 O\n0.923758 0.075322 0.858140 O\n0.635611 0.428790 0.115671 O\n0.135611 0.571210 0.384329 O\n0.364389 0.571210 0.884329 O\n0.864389 0.428790 0.615671 O\n0.655185 0.911639 0.905656 O\n0.155185 0.088361 0.594344 O\n0.344815 0.088361 0.094344 O\n0.844815 0.911639 0.405656 O\n0.733383 0.538314 0.999903 O\n0.233383 0.461686 0.500097 O\n0.266617 0.461686 0.000097 O\n0.766617 0.538314 0.499903 O\n0.693445 0.741077 0.237859 O\n0.193445 0.258923 0.262141 O\n0.306555 0.258923 0.762141 O\n0.806555 0.741077 0.737859 O\n0.817765 0.807590 0.051508 O\n0.317765 0.192410 0.448492 O\n0.182235 0.192410 0.948492 O\n0.682235 0.807590 0.551508 O\n0.835522 0.346209 0.020394 O\n0.335522 0.653791 0.479606 O\n0.164478 0.653791 0.979606 O\n0.664478 0.346209 0.520394 O\n",
"nsites": 64,
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"elements": [
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"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.75257616272215,
"density_atomic": 0.0739148328809671,
"volume": 865.8613908126666,
"volume_molar": 8.147404959567577,
"formula_full": "Co4 P16 O44",
"formula_reduced": "CoP4O11",
"formula_anonymous": "AB4C11",
"energy": -488.35365245,
"energy_per_atom": -7.63052581953125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:24.090000Z",
"spacegroup": 14
},
{
"id": "mp-2272",
"created_at": "2022-09-04T14:43:55.236247Z",
"structure_string": "Sr6 Li23\n1.0\n0.000000 7.385825 7.385825\n7.385825 0.000000 7.385825\n7.385825 7.385825 0.000000\nSr Li\n6 23\ndirect\n0.206088 0.206088 0.793912 Sr\n0.206088 0.793912 0.793912 Sr\n0.793912 0.206088 0.206088 Sr\n0.206088 0.793912 0.206088 Sr\n0.793912 0.206088 0.793912 Sr\n0.793912 0.793912 0.206088 Sr\n0.500000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.621732 0.134804 0.621732 Li\n0.378268 0.378268 0.865196 Li\n0.865196 0.378268 0.378268 Li\n0.378268 0.378268 0.378268 Li\n0.134804 0.621732 0.621732 Li\n0.621732 0.621732 0.621732 Li\n0.621732 0.621732 0.134804 Li\n0.378268 0.865196 0.378268 Li\n0.822379 0.532863 0.822379 Li\n0.177621 0.177621 0.467137 Li\n0.467137 0.177621 0.177621 Li\n0.177621 0.177621 0.177621 Li\n0.532863 0.822379 0.822379 Li\n0.822379 0.822379 0.822379 Li\n0.822379 0.822379 0.532863 Li\n0.177621 0.467137 0.177621 Li\n",
"nsites": 29,
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"elements": [
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"Li"
],
"chemical_system": "Li-Sr",
"density": 1.4123512445350452,
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"volume": 805.7995776233666,
"volume_molar": 16.73323614067745,
"formula_full": "Sr6 Li23",
"formula_reduced": "Sr6Li23",
"formula_anonymous": "A6B23",
"energy": -53.91478768,
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"updated_at": "2021-11-28T01:36:33.481000Z",
"spacegroup": 225
},
{
"id": "mp-1205024",
"created_at": "2022-09-04T14:43:55.579036Z",
"structure_string": "K16 U4 C8 Se8 O60\n1.0\n7.447813 0.000000 0.000000\n0.000000 15.235962 0.000000\n0.000000 10.043424 14.656285\nK U C Se O\n16 4 8 8 60\ndirect\n0.862210 0.372444 0.009028 K\n0.637790 0.372444 0.509028 K\n0.137790 0.627556 0.990972 K\n0.362210 0.627556 0.490972 K\n0.479961 0.855161 0.924998 K\n0.020039 0.855161 0.424998 K\n0.520039 0.144839 0.075002 K\n0.979961 0.144839 0.575002 K\n0.493690 0.000188 0.354006 K\n0.006310 0.000188 0.854006 K\n0.506310 0.999812 0.645994 K\n0.993690 0.999812 0.145994 K\n0.415476 0.623309 0.205772 K\n0.084524 0.623309 0.705772 K\n0.584524 0.376691 0.794228 K\n0.915476 0.376691 0.294228 K\n0.334027 0.329619 0.195425 U\n0.165973 0.329619 0.695425 U\n0.665973 0.670381 0.804575 U\n0.834027 0.670381 0.304575 U\n0.352048 0.213313 0.418682 C\n0.147952 0.213313 0.918682 C\n0.647952 0.786687 0.581318 C\n0.852048 0.786687 0.081318 C\n0.541235 0.263980 0.384497 C\n0.958765 0.263980 0.884497 C\n0.458765 0.736020 0.615503 C\n0.041235 0.736020 0.115503 C\n0.945470 0.144254 0.246474 Se\n0.554530 0.144254 0.746474 Se\n0.054530 0.855746 0.753526 Se\n0.445470 0.855746 0.253526 Se\n0.665617 0.555147 0.058569 Se\n0.834383 0.555147 0.558569 Se\n0.334383 0.444853 0.941431 Se\n0.165617 0.444853 0.441431 Se\n0.428041 0.214080 0.203753 O\n0.071959 0.214080 0.703753 O\n0.571959 0.785920 0.796247 O\n0.928041 0.785920 0.296247 O\n0.237705 0.446800 0.184450 O\n0.262295 0.446800 0.684450 O\n0.762295 0.553200 0.815550 O\n0.737705 0.553200 0.315550 O\n0.811803 0.107323 0.334704 O\n0.688197 0.107323 0.834704 O\n0.188197 0.892677 0.665296 O\n0.311803 0.892677 0.165296 O\n0.829865 0.164185 0.157650 O\n0.670135 0.164185 0.657650 O\n0.170135 0.835815 0.842350 O\n0.329865 0.835815 0.342350 O\n0.040372 0.266039 0.208640 O\n0.459628 0.266039 0.708640 O\n0.959628 0.733961 0.791360 O\n0.540372 0.733961 0.291360 O\n0.105439 0.054001 0.273754 O\n0.394561 0.054001 0.773754 O\n0.894561 0.945999 0.726246 O\n0.605439 0.945999 0.226246 O\n0.500088 0.637289 0.040795 O\n0.999912 0.637289 0.540795 O\n0.499912 0.362711 0.959205 O\n0.000088 0.362711 0.459205 O\n0.825532 0.551461 0.124701 O\n0.674468 0.551461 0.624701 O\n0.174468 0.448539 0.875299 O\n0.325532 0.448539 0.375299 O\n0.768219 0.589376 0.959792 O\n0.731781 0.589376 0.459792 O\n0.231781 0.410624 0.040208 O\n0.268219 0.410624 0.540208 O\n0.585998 0.430319 0.103261 O\n0.914002 0.430319 0.603261 O\n0.414002 0.569681 0.896739 O\n0.085998 0.569681 0.396739 O\n0.248835 0.229338 0.353472 O\n0.251165 0.229338 0.853472 O\n0.751165 0.770662 0.646528 O\n0.748835 0.770662 0.146528 O\n0.556913 0.319650 0.296780 O\n0.943087 0.319650 0.796780 O\n0.443087 0.680350 0.703220 O\n0.056913 0.680350 0.203220 O\n0.312640 0.163981 0.500838 O\n0.187360 0.163981 0.000838 O\n0.687360 0.836019 0.499162 O\n0.812640 0.836019 0.999162 O\n0.662036 0.250829 0.438764 O\n0.837964 0.250829 0.938764 O\n0.337964 0.749171 0.561236 O\n0.162036 0.749171 0.061236 O\n0.295015 0.973024 0.983084 O\n0.204985 0.973024 0.483084 O\n0.704985 0.026976 0.016916 O\n0.795015 0.026976 0.516916 O\n",
"nsites": 96,
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"elements": [
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"C",
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"O"
],
"chemical_system": "C-K-O-Se-U",
"density": 3.2603583686282036,
"density_atomic": 0.05772297242983288,
"volume": 1663.1160170536273,
"volume_molar": 10.432832036361983,
"formula_full": "K16 U4 C8 Se8 O60",
"formula_reduced": "K4UC2Se2O15",
"formula_anonymous": "AB2C2D4E15",
"energy": -644.0212546700001,
"energy_per_atom": -6.708554736145834,
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"formation_energy": null,
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"energy_uncorrected": -602.80125467,
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"total_magnetization": 7.8398762,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.278000Z",
"spacegroup": 14
},
{
"id": "mp-27243",
"created_at": "2022-09-04T14:43:55.760628Z",
"structure_string": "K2 Pt1 Br4\n1.0\n7.498145 0.000000 0.000000\n0.000000 7.498145 0.000000\n0.000000 0.000000 4.482134\nK Pt Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Pt\n0.767102 0.767102 0.000000 Br\n0.232898 0.232898 0.000000 Br\n0.232898 0.767102 0.000000 Br\n0.767102 0.232898 0.000000 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"Pt",
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],
"chemical_system": "Br-K-Pt",
"density": 3.9069292961824043,
"density_atomic": 0.027778291726375692,
"volume": 251.99533754458517,
"volume_molar": 21.679305622245778,
"formula_full": "K2 Pt1 Br4",
"formula_reduced": "K2PtBr4",
"formula_anonymous": "AB2C4",
"energy": -24.93322455,
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"updated_at": "2021-11-28T01:36:26.065000Z",
"spacegroup": 123
}
]
}