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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10119",
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"results": [
{
"id": "mp-1233230",
"created_at": "2022-09-04T14:46:13.120928Z",
"structure_string": "Ca1 Zn2 Fe4 O8\n1.0\n5.434357 0.049039 3.240295\n1.857688 5.107215 3.240295\n0.000000 0.000000 6.480589\nCa Zn Fe O\n1 2 4 8\ndirect\n0.199273 0.199273 0.800727 Ca\n0.163941 0.724051 0.556004 Zn\n0.724051 0.163941 0.556004 Zn\n0.875305 0.875304 0.124696 Fe\n0.317197 0.317198 0.182802 Fe\n0.619960 0.619960 0.109668 Fe\n0.619960 0.619960 0.650413 Fe\n0.402526 0.402526 0.396891 O\n0.402526 0.402526 0.798057 O\n0.435374 0.891532 0.336547 O\n0.891531 0.435377 0.336546 O\n0.354210 0.777263 0.934264 O\n0.777266 0.354209 0.934263 O\n0.848024 0.848024 0.451167 O\n0.848024 0.848024 0.852784 O\n",
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{
"id": "mp-759445",
"created_at": "2022-09-04T14:40:31.473243Z",
"structure_string": "V3 Co1 Ni2 P6 O24\n1.0\n7.269255 -4.304124 0.000000\n7.269255 4.304124 0.000000\n4.720784 0.000000 7.005836\nV Co Ni P O\n3 1 2 6 24\ndirect\n0.643114 0.643114 0.643114 V\n0.858358 0.858358 0.858358 V\n0.357502 0.357502 0.357502 V\n0.142871 0.142871 0.142871 Co\n0.001904 0.001904 0.001904 Ni\n0.500619 0.500619 0.500619 Ni\n0.956573 0.249030 0.541648 P\n0.541648 0.956573 0.249030 P\n0.249030 0.541648 0.956573 P\n0.751590 0.454638 0.043986 P\n0.454638 0.043986 0.751590 P\n0.043986 0.751590 0.454638 P\n0.502011 0.116698 0.316560 O\n0.316560 0.502011 0.116698 O\n0.116698 0.316560 0.502011 O\n0.943244 0.089307 0.741639 O\n0.990111 0.184373 0.386714 O\n0.758025 0.412334 0.560552 O\n0.741639 0.943244 0.089307 O\n0.560552 0.758025 0.412334 O\n0.815102 0.616246 0.004958 O\n0.412334 0.560552 0.758025 O\n0.908941 0.258778 0.054516 O\n0.616246 0.004958 0.815102 O\n0.386714 0.990111 0.184373 O\n0.089307 0.741639 0.943244 O\n0.588953 0.441126 0.242680 O\n0.184373 0.386714 0.990111 O\n0.441126 0.242680 0.588953 O\n0.258778 0.054516 0.908941 O\n0.242680 0.588953 0.441126 O\n0.004958 0.815102 0.616246 O\n0.054516 0.908941 0.258778 O\n0.885143 0.679607 0.500563 O\n0.679607 0.500563 0.885143 O\n0.500563 0.885143 0.679607 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Co-Ni-O-P-V",
"density": 3.405108414951743,
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"volume": 438.39403961540177,
"volume_molar": 7.333529485858238,
"formula_full": "V3 Co1 Ni2 P6 O24",
"formula_reduced": "V3CoNi2(PO4)6",
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"energy": -283.95347618,
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"updated_at": "2021-11-28T01:34:59.816000Z",
"spacegroup": 146
},
{
"id": "mp-1198801",
"created_at": "2022-09-04T14:41:29.279033Z",
"structure_string": "Mn2 H22 C10 N2 O12\n1.0\n4.169467 7.171522 0.000000\n-4.169467 7.171522 0.000000\n0.000000 4.524462 7.583475\nMn H C N O\n2 22 10 2 12\ndirect\n0.321638 0.827661 0.604659 Mn\n0.827661 0.321638 0.104659 Mn\n0.185701 0.691749 0.355076 H\n0.691749 0.185701 0.855076 H\n0.959467 0.820127 0.324578 H\n0.820127 0.959467 0.824578 H\n0.482327 0.169093 0.350548 H\n0.169093 0.482327 0.850548 H\n0.560737 0.651084 0.871097 H\n0.651084 0.560737 0.371097 H\n0.022389 0.159128 0.775519 H\n0.159128 0.022389 0.275519 H\n0.951676 0.597325 0.615840 H\n0.597325 0.951676 0.115840 H\n0.121196 0.401740 0.519288 H\n0.401740 0.121196 0.019288 H\n0.884156 0.529103 0.492729 H\n0.529103 0.884156 0.992729 H\n0.182135 0.735442 0.066060 H\n0.735442 0.182135 0.566060 H\n0.015782 0.609882 0.175105 H\n0.609882 0.015782 0.675105 H\n0.258523 0.485857 0.190815 H\n0.485857 0.258523 0.690815 H\n0.612073 0.033769 0.355001 C\n0.033769 0.612073 0.855001 C\n0.577331 0.522880 0.847709 C\n0.522880 0.577331 0.347709 C\n0.135091 0.086596 0.844172 C\n0.086596 0.135091 0.344172 C\n0.001925 0.543179 0.504293 C\n0.543179 0.001925 0.004293 C\n0.136396 0.624992 0.180853 C\n0.624992 0.136396 0.680853 C\n0.071478 0.682233 0.341082 N\n0.682233 0.071478 0.841082 N\n0.589508 0.873923 0.441407 O\n0.873923 0.589508 0.941407 O\n0.357629 0.685361 0.424774 O\n0.685361 0.357629 0.924774 O\n0.777119 0.050754 0.270496 O\n0.050754 0.777119 0.770496 O\n0.141799 0.101106 0.472340 O\n0.101106 0.141799 0.972340 O\n0.288576 0.954143 0.787837 O\n0.954143 0.288576 0.287837 O\n0.489322 0.547340 0.748524 O\n0.547340 0.489322 0.248524 O\n",
"nsites": 48,
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"elements": [
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"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mn-N-O",
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"density_atomic": 0.1058403107793869,
"volume": 453.51340757162933,
"volume_molar": 5.689836618632503,
"formula_full": "Mn2 H22 C10 N2 O12",
"formula_reduced": "MnH11C5NO6",
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"energy": -303.55300895000005,
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"updated_at": "2021-11-28T01:35:11.129000Z",
"spacegroup": 9
},
{
"id": "mp-757183",
"created_at": "2022-09-04T14:44:29.236747Z",
"structure_string": "Li2 Fe2 Si6 O16\n1.0\n4.455006 6.673021 -0.073286\n-3.340243 6.276250 0.058564\n-3.197271 -0.585435 6.329268\nLi Fe Si O\n2 2 6 16\ndirect\n0.817659 0.830016 0.802123 Li\n0.182341 0.169984 0.197877 Li\n0.204010 0.728866 0.145453 Fe\n0.795990 0.271134 0.854547 Fe\n0.211437 0.556786 0.731671 Si\n0.448838 0.735588 0.620953 Si\n0.176098 0.148782 0.743788 Si\n0.823902 0.851218 0.256212 Si\n0.551162 0.264412 0.379047 Si\n0.788563 0.443214 0.268329 Si\n0.121937 0.696747 0.871820 O\n0.361038 0.935305 0.720154 O\n0.033844 0.699042 0.484303 O\n0.308162 0.839874 0.363906 O\n0.107598 0.085384 0.925520 O\n0.431683 0.529450 0.743496 O\n0.272934 0.297379 0.813564 O\n0.705075 0.595252 0.709432 O\n0.294925 0.404748 0.290568 O\n0.727066 0.702621 0.186436 O\n0.568317 0.470550 0.256504 O\n0.892402 0.914616 0.074480 O\n0.691838 0.160126 0.636094 O\n0.966156 0.300958 0.515697 O\n0.638963 0.064695 0.279846 O\n0.878063 0.303253 0.128180 O\n",
"nsites": 26,
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"O"
],
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"density": 2.896656333340318,
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"volume": 315.33657643890984,
"volume_molar": 7.3038509618908245,
"formula_full": "Li2 Fe2 Si6 O16",
"formula_reduced": "LiFeSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -205.45997932,
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"spacegroup": 2
},
{
"id": "mp-756535",
"created_at": "2022-09-04T14:43:20.883888Z",
"structure_string": "Li2 Fe2 F8\n1.0\n2.910472 -4.326927 0.000000\n2.910472 4.326927 0.000000\n0.000000 0.000000 6.431420\nLi Fe F\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.352878 0.647122 0.750000 Fe\n0.647122 0.352878 0.250000 Fe\n0.226327 0.261250 0.750000 F\n0.261250 0.226327 0.250000 F\n0.228990 0.771010 0.519577 F\n0.771010 0.228990 0.019577 F\n0.771010 0.228990 0.480423 F\n0.228990 0.771010 0.980423 F\n0.773673 0.738750 0.250000 F\n0.738750 0.773673 0.750000 F\n",
"nsites": 12,
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"elements": [
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"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 2.8452792934627245,
"density_atomic": 0.07408007012108014,
"volume": 161.98688770659376,
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"formula_full": "Li2 Fe2 F8",
"formula_reduced": "LiFeF4",
"formula_anonymous": "ABC4",
"energy": -68.75189209,
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"spacegroup": 63
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{
"id": "mp-805388",
"created_at": "2022-09-04T14:41:23.420396Z",
"structure_string": "Li2 Fe2 Si2 O8\n1.0\n5.099976 0.000000 0.000000\n0.023038 -5.216672 0.000000\n0.034423 -0.000374 -6.736422\nLi Fe Si O\n2 2 2 8\ndirect\n0.998342 0.510598 0.818636 Li\n0.495662 0.013268 0.179603 Li\n0.995152 0.015260 0.177027 Fe\n0.495923 0.512625 0.821136 Fe\n0.747658 0.013490 0.684310 Si\n0.245686 0.517629 0.315223 Si\n0.945482 0.898997 0.834553 O\n0.761071 0.952561 0.374858 O\n0.734972 0.332420 0.737322 O\n0.550535 0.878038 0.814536 O\n0.442156 0.401955 0.162969 O\n0.260552 0.454570 0.623366 O\n0.233494 0.837144 0.266474 O\n0.047979 0.381583 0.184660 O\n",
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"formula_full": "Li2 Fe2 Si2 O8",
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{
"id": "mp-1175435",
"created_at": "2022-09-04T14:47:16.727375Z",
"structure_string": "Li9 Co7 O16\n1.0\n2.998742 0.000000 0.000000\n0.131181 5.971960 0.000000\n0.023457 0.294283 16.035369\nLi Co O\n9 7 16\ndirect\n0.000911 0.244152 0.622649 Li\n0.500000 0.500000 0.500000 Li\n0.999089 0.755848 0.377351 Li\n0.503107 0.999638 0.749444 Li\n0.999497 0.750097 0.875220 Li\n0.500000 0.500000 0.000000 Li\n0.000503 0.249903 0.124780 Li\n0.496893 0.000362 0.250556 Li\n0.500000 0.000000 0.500000 Li\n0.998429 0.760734 0.620721 Co\n0.001571 0.239266 0.379279 Co\n0.503295 0.498517 0.251367 Co\n0.999040 0.749028 0.125306 Co\n0.500000 0.000000 0.000000 Co\n0.000960 0.250972 0.874694 Co\n0.496705 0.501483 0.748633 Co\n0.460341 0.511842 0.629443 O\n0.999283 0.747212 0.512304 O\n0.465361 0.019608 0.374686 O\n0.001367 0.260103 0.754804 O\n0.506791 0.008689 0.879301 O\n0.005996 0.759356 0.004544 O\n0.506469 0.507086 0.130219 O\n0.008740 0.261930 0.259291 O\n0.534639 0.980392 0.625314 O\n0.000717 0.252788 0.487696 O\n0.539659 0.488158 0.370557 O\n0.991260 0.738070 0.740709 O\n0.493531 0.492914 0.869781 O\n0.994004 0.240644 0.995456 O\n0.493209 0.991311 0.120699 O\n0.998633 0.739897 0.245196 O\n",
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],
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"volume": 287.1672774312454,
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"formula_full": "Li9 Co7 O16",
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"energy": -199.31481063,
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{
"id": "mp-22235",
"created_at": "2022-09-04T14:48:30.914758Z",
"structure_string": "Cs4 Mn2 Sn2 Te8\n1.0\n0.000000 7.845293 13.134420\n3.404676 0.000000 13.134420\n3.404676 7.845293 0.000000\nCs Mn Sn Te\n4 2 2 8\ndirect\n0.815729 0.815729 0.184271 Cs\n0.184271 0.184271 0.815729 Cs\n0.434271 0.434271 0.065729 Cs\n0.065729 0.065729 0.434271 Cs\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Sn\n0.410292 0.709707 0.785405 Te\n0.094596 0.785405 0.709707 Te\n0.785405 0.094596 0.410292 Te\n0.709707 0.410292 0.094596 Te\n0.839708 0.540293 0.464595 Te\n0.155404 0.464595 0.540293 Te\n0.464595 0.155404 0.839708 Te\n0.540293 0.839708 0.155404 Te\n",
"nsites": 16,
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],
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"volume": 701.6585999653698,
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"formula_full": "Cs4 Mn2 Sn2 Te8",
"formula_reduced": "Cs2MnSnTe4",
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"spacegroup": 70
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{
"id": "mp-18246",
"created_at": "2022-09-04T14:46:34.338240Z",
"structure_string": "K12 Mn2 Te8\n1.0\n5.504268 -9.533672 0.000000\n5.504268 9.533672 0.000000\n0.000000 0.000000 8.511260\nK Mn Te\n12 2 8\ndirect\n0.147692 0.852308 0.545149 K\n0.295384 0.147692 0.045149 K\n0.852308 0.704616 0.045149 K\n0.147692 0.295384 0.545149 K\n0.704616 0.852308 0.545149 K\n0.852308 0.147692 0.045149 K\n0.526017 0.473983 0.364657 K\n0.052033 0.526017 0.864657 K\n0.473983 0.947967 0.864657 K\n0.526017 0.052033 0.364657 K\n0.947967 0.473983 0.364657 K\n0.473983 0.526017 0.864657 K\n0.333333 0.666667 0.249877 Mn\n0.666667 0.333333 0.749877 Mn\n0.333333 0.666667 0.576835 Te\n0.666667 0.333333 0.076835 Te\n0.194686 0.805314 0.148456 Te\n0.389371 0.194686 0.648456 Te\n0.805314 0.610629 0.648456 Te\n0.194686 0.389371 0.148456 Te\n0.610629 0.805314 0.148456 Te\n0.805314 0.194686 0.648456 Te\n",
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"formula_full": "K12 Mn2 Te8",
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{
"id": "mp-14782",
"created_at": "2022-09-04T14:45:20.433568Z",
"structure_string": "Na12 Mn2 Te8\n1.0\n5.046355 -8.740543 0.000000\n5.046355 8.740543 0.000000\n0.000000 0.000000 7.760629\nNa Mn Te\n12 2 8\ndirect\n0.150149 0.849851 0.542280 Na\n0.300297 0.150149 0.042280 Na\n0.849851 0.699703 0.042280 Na\n0.150149 0.300297 0.542280 Na\n0.699703 0.849851 0.542280 Na\n0.849851 0.150149 0.042280 Na\n0.527713 0.472287 0.371859 Na\n0.055426 0.527713 0.871859 Na\n0.472287 0.944574 0.871859 Na\n0.527713 0.055426 0.371859 Na\n0.944574 0.472287 0.371859 Na\n0.472287 0.527713 0.871859 Na\n0.333333 0.666667 0.251909 Mn\n0.666667 0.333333 0.751909 Mn\n0.333333 0.666667 0.605120 Te\n0.666667 0.333333 0.105120 Te\n0.185210 0.814790 0.142418 Te\n0.370421 0.185210 0.642418 Te\n0.814790 0.629579 0.642418 Te\n0.185210 0.370421 0.142418 Te\n0.629579 0.814790 0.142418 Te\n0.814790 0.185210 0.642418 Te\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Mn",
"Te"
],
"chemical_system": "Mn-Na-Te",
"density": 3.4116319069134935,
"density_atomic": 0.03213509219426174,
"volume": 684.6098298709243,
"volume_molar": 18.740076187101632,
"formula_full": "Na12 Mn2 Te8",
"formula_reduced": "Na6MnTe4",
"formula_anonymous": "AB4C6",
"energy": -80.29815599,
"energy_per_atom": -3.6499161813636363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -76.92215599,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.9985076,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.252000Z",
"spacegroup": 186
},
{
"id": "mp-37843",
"created_at": "2022-09-04T14:43:12.509014Z",
"structure_string": "La12 Ni6 O25\n1.0\n5.489326 0.000000 0.000000\n0.001909 5.591908 0.000000\n0.006763 2.783002 19.033163\nLa Ni O\n12 6 25\ndirect\n0.489851 0.617423 0.760328 La\n0.996687 0.573912 0.909235 La\n0.491001 0.314119 0.427539 La\n0.992209 0.209525 0.576349 La\n0.009466 0.144047 0.760343 La\n0.492427 0.041865 0.909294 La\n0.494628 0.970454 0.098946 La\n0.996929 0.900781 0.237789 La\n0.013119 0.783153 0.427607 La\n0.512001 0.736652 0.576409 La\n0.995518 0.462968 0.099086 La\n0.493397 0.395042 0.237554 La\n0.501717 0.176763 0.668314 Ni\n0.989915 0.018247 0.002357 Ni\n0.505074 0.852119 0.334584 Ni\n0.000647 0.676398 0.668349 Ni\n0.499065 0.507815 0.002414 Ni\n0.994767 0.341189 0.334631 Ni\n0.026421 0.567228 0.784938 O\n0.503698 0.627220 0.879185 O\n0.752083 0.427578 0.664580 O\n0.251984 0.434161 0.654530 O\n0.534298 0.185844 0.551780 O\n0.472355 0.170232 0.784839 O\n0.993566 0.019340 0.879352 O\n0.752925 0.081286 0.359708 O\n0.252574 0.095619 0.341882 O\n0.945164 0.029116 0.110355 O\n0.750456 0.918802 0.682575 O\n0.250829 0.925274 0.671694 O\n0.551372 0.966373 0.226549 O\n0.468807 0.734651 0.457553 O\n0.969468 0.784762 0.551906 O\n0.244924 0.683813 0.167824 O\n0.744330 0.761833 0.004929 O\n0.244178 0.762021 0.003390 O\n0.033359 0.333349 0.457581 O\n0.747463 0.593261 0.336363 O\n0.247987 0.600913 0.329789 O\n0.541703 0.392587 0.110753 O\n0.946564 0.336604 0.226475 O\n0.743827 0.273555 0.979651 O\n0.244246 0.268442 0.992022 O\n",
"nsites": 43,
"nelements": 3,
"elements": [
"La",
"Ni",
"O"
],
"chemical_system": "La-Ni-O",
"density": 6.875383695560902,
"density_atomic": 0.07360010732085646,
"volume": 584.238278519668,
"volume_molar": 8.18224453633843,
"formula_full": "La12 Ni6 O25",
"formula_reduced": "La12Ni6O25",
"formula_anonymous": "A6B12C25",
"energy": -346.80770324,
"energy_per_atom": -8.065295424186047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.38670324,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9985131,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.197000Z",
"spacegroup": 1
},
{
"id": "mp-1247028",
"created_at": "2022-09-04T14:47:03.691044Z",
"structure_string": "Mg2 Mn1 V3 S8\n1.0\n6.258337 -0.000439 3.618336\n2.088290 5.969976 3.613862\n0.003276 -0.003176 7.230988\nMg Mn V S\n2 1 3 8\ndirect\n0.874381 0.876807 0.874340 Mg\n0.125630 0.123190 0.125666 Mg\n0.500015 0.999991 0.500003 Mn\n0.499997 0.500015 0.499959 V\n0.500016 0.499999 0.000009 V\n0.000000 0.499993 0.500027 V\n0.738174 0.736967 0.738441 S\n0.261602 0.263172 0.713433 S\n0.261428 0.714762 0.262018 S\n0.713748 0.262898 0.261453 S\n0.738533 0.285257 0.737968 S\n0.286252 0.737081 0.738554 S\n0.261822 0.263034 0.261568 S\n0.738409 0.736831 0.286561 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"V",
"S"
],
"chemical_system": "Mg-Mn-S-V",
"density": 3.1526265700232052,
"density_atomic": 0.05182330221808828,
"volume": 270.1487439199402,
"volume_molar": 11.62052687159339,
"formula_full": "Mg2 Mn1 V3 S8",
"formula_reduced": "Mg2MnV3S8",
"formula_anonymous": "AB2C3D8",
"energy": -89.83185339,
"energy_per_atom": -6.4165609564285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.80785339,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.9985209,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.480000Z",
"spacegroup": 166
}
]
}