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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=10267",
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"results": [
{
"id": "mp-1224150",
"created_at": "2022-09-04T14:40:17.195240Z",
"structure_string": "K3 Mg4 Si4 O14\n1.0\n-2.561460 -4.437723 0.000384\n-2.563550 4.438901 -0.000215\n0.000452 0.000944 -13.279731\nK Mg Si O\n3 4 4 14\ndirect\n0.330627 0.655677 0.750066 K\n0.669001 0.324684 0.750056 K\n0.680161 0.339139 0.249827 K\n0.334508 0.665756 0.493238 Mg\n0.667266 0.332993 0.500759 Mg\n0.667285 0.332921 0.999406 Mg\n0.334591 0.665843 0.006943 Mg\n0.999531 0.995514 0.620754 Si\n0.003813 0.000916 0.376121 Si\n0.003774 0.001080 0.123865 Si\n0.999587 0.995613 0.879226 Si\n0.311308 0.995709 0.909095 O\n0.688063 0.685282 0.908794 O\n0.000252 0.307065 0.909477 O\n0.698872 0.005990 0.087624 O\n0.313151 0.305121 0.088228 O\n0.997421 0.690859 0.087752 O\n0.699092 0.005957 0.412367 O\n0.312929 0.304936 0.411756 O\n0.997423 0.691157 0.412205 O\n0.311194 0.995706 0.590889 O\n0.688110 0.685345 0.591198 O\n0.000174 0.306995 0.590489 O\n0.000869 0.996768 0.749981 O\n0.000998 0.000973 0.249884 O\n",
"nsites": 25,
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"elements": [
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"Mg",
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"O"
],
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"density": 3.0281645511739157,
"density_atomic": 0.08276337857829114,
"volume": 302.06596721218807,
"volume_molar": 7.276335093429366,
"formula_full": "K3 Mg4 Si4 O14",
"formula_reduced": "K3Mg4(Si2O7)2",
"formula_anonymous": "A3B4C4D14",
"energy": -173.74898793,
"energy_per_atom": -6.9499595172,
"energy_above_hull": null,
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"energy_uncorrected": -164.13098793,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.801000Z",
"spacegroup": 6
},
{
"id": "mp-775334",
"created_at": "2022-09-04T14:40:17.256875Z",
"structure_string": "V3 Cu1 P4 O16\n1.0\n4.914880 -0.063241 0.000000\n-0.139127 9.983910 0.000000\n0.000000 0.000000 5.912570\nV Cu P O\n3 1 4 16\ndirect\n0.479810 0.229441 0.750000 V\n0.542573 0.780600 0.250000 V\n0.977358 0.268047 0.250000 V\n0.089262 0.710605 0.750000 Cu\n0.096666 0.600745 0.250000 P\n0.404444 0.094500 0.250000 P\n0.561723 0.902454 0.750000 P\n0.921439 0.403801 0.750000 P\n0.140502 0.450251 0.250000 O\n0.260848 0.673173 0.054083 O\n0.260848 0.673173 0.445917 O\n0.224189 0.375582 0.750000 O\n0.253447 0.883396 0.750000 O\n0.262367 0.169085 0.047539 O\n0.262367 0.169085 0.452461 O\n0.328513 0.944711 0.250000 O\n0.642955 0.051172 0.750000 O\n0.692024 0.832381 0.537216 O\n0.692024 0.832381 0.962784 O\n0.711566 0.117756 0.250000 O\n0.793899 0.630478 0.250000 O\n0.769051 0.327729 0.547686 O\n0.769051 0.327729 0.952314 O\n0.863075 0.551727 0.750000 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"V",
"Cu",
"P",
"O"
],
"chemical_system": "Cu-O-P-V",
"density": 3.41326359889127,
"density_atomic": 0.08273690083418,
"volume": 290.07612997373957,
"volume_molar": 7.278663690907979,
"formula_full": "V3 Cu1 P4 O16",
"formula_reduced": "V3Cu(PO4)4",
"formula_anonymous": "AB3C4D16",
"energy": -192.02294554,
"energy_per_atom": -8.000956064166667,
"energy_above_hull": null,
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"energy_uncorrected": -175.93094554,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 6.0001346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.942000Z",
"spacegroup": 6
},
{
"id": "mp-1227161",
"created_at": "2022-09-04T14:40:17.609809Z",
"structure_string": "Ca1 Pr3 Fe4 O12\n1.0\n7.834603 0.000000 0.000000\n0.000000 5.508775 0.000000\n0.000000 0.012039 5.602767\nCa Pr Fe O\n1 3 4 12\ndirect\n0.000000 0.491655 0.456732 Ca\n0.000000 0.010691 0.953444 Pr\n0.500000 0.510988 0.546249 Pr\n0.500000 0.990286 0.046955 Pr\n0.246055 0.499604 0.001921 Fe\n0.754482 0.001049 0.499260 Fe\n0.753945 0.499604 0.001921 Fe\n0.245518 0.001049 0.499260 Fe\n0.212284 0.203800 0.203984 O\n0.793389 0.291503 0.708022 O\n0.706622 0.790596 0.790437 O\n0.296984 0.712250 0.288251 O\n0.293378 0.790596 0.790437 O\n0.703016 0.712250 0.288251 O\n0.787716 0.203800 0.203984 O\n0.206611 0.291503 0.708022 O\n0.000000 0.581150 0.027379 O\n0.000000 0.914460 0.522493 O\n0.500000 0.422047 0.980133 O\n0.500000 0.081117 0.482865 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Pr",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O-Pr",
"density": 6.030522715829368,
"density_atomic": 0.08270950176693893,
"volume": 241.81018592466606,
"volume_molar": 7.281074884200549,
"formula_full": "Ca1 Pr3 Fe4 O12",
"formula_reduced": "CaPr3(FeO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -162.34238296999996,
"energy_per_atom": -8.117119148499999,
"energy_above_hull": null,
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"energy_uncorrected": -145.07438297,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.0102266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.244000Z",
"spacegroup": 6
},
{
"id": "mp-1226290",
"created_at": "2022-09-04T14:40:17.591699Z",
"structure_string": "Cr1 Fe3 As4\n1.0\n0.000000 -3.454286 0.000000\n-5.383824 0.000000 0.003426\n0.004141 0.000000 -6.037625\nCr Fe As\n1 3 4\ndirect\n0.750000 0.497051 0.702120 Cr\n0.750000 0.003511 0.792527 Fe\n0.250000 0.502652 0.306195 Fe\n0.250000 0.003439 0.202282 Fe\n0.750000 0.292066 0.087093 As\n0.750000 0.806114 0.411099 As\n0.250000 0.707438 0.923493 As\n0.250000 0.187728 0.575190 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Fe",
"As"
],
"chemical_system": "As-Cr-Fe",
"density": 7.678622673141639,
"density_atomic": 0.0712483636958563,
"volume": 112.28328041539666,
"volume_molar": 8.452321495700875,
"formula_full": "Cr1 Fe3 As4",
"formula_reduced": "CrFe3As4",
"formula_anonymous": "AB3C4",
"energy": -55.25711779,
"energy_per_atom": -6.90713972375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.25711779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8611729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.791000Z",
"spacegroup": 6
},
{
"id": "mp-1099844",
"created_at": "2022-09-04T14:40:19.027757Z",
"structure_string": "Sr4 Ca4 Co6 Cu2 O24\n1.0\n7.719529 0.000000 0.000000\n0.000000 7.676871 0.000000\n0.000000 0.032746 7.684366\nSr Ca Co Cu O\n4 4 6 2 24\ndirect\n0.000000 0.249539 0.750801 Sr\n0.500000 0.249463 0.750522 Sr\n0.500000 0.249625 0.249621 Sr\n0.000000 0.750797 0.248999 Sr\n0.000000 0.751456 0.751469 Ca\n0.500000 0.751283 0.752184 Ca\n0.000000 0.248947 0.248507 Ca\n0.500000 0.751428 0.247668 Ca\n0.249940 0.502286 0.000055 Co\n0.750060 0.502286 0.000055 Co\n0.250001 0.998443 0.499875 Co\n0.749999 0.998443 0.499875 Co\n0.249867 0.501508 0.499920 Co\n0.750133 0.501508 0.499920 Co\n0.250001 0.000099 0.000048 Cu\n0.749999 0.000099 0.000048 Cu\n0.249892 0.992195 0.744146 O\n0.750108 0.992195 0.744146 O\n0.250172 0.506958 0.747308 O\n0.749828 0.506958 0.747308 O\n0.250245 0.998476 0.255887 O\n0.749755 0.998476 0.255887 O\n0.250283 0.502601 0.252830 O\n0.749717 0.502601 0.252830 O\n0.246865 0.256779 0.003423 O\n0.753135 0.256779 0.003423 O\n0.252576 0.744898 0.997054 O\n0.747424 0.744898 0.997054 O\n0.247554 0.252740 0.497497 O\n0.752446 0.252740 0.497497 O\n0.252034 0.747133 0.502070 O\n0.747966 0.747133 0.502070 O\n0.000000 0.997313 0.999630 O\n0.500000 0.986860 0.000330 O\n0.000000 0.502987 0.999572 O\n0.500000 0.506341 0.999995 O\n0.000000 0.997771 0.500245 O\n0.500000 0.990458 0.500015 O\n0.000000 0.502932 0.500424 O\n0.500000 0.504568 0.499792 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Co",
"Cu",
"O"
],
"chemical_system": "Ca-Co-Cu-O-Sr",
"density": 5.015528977484901,
"density_atomic": 0.08783688050935792,
"volume": 455.38957859208693,
"volume_molar": 6.856050357296576,
"formula_full": "Sr4 Ca4 Co6 Cu2 O24",
"formula_reduced": "Sr2Ca2Co3CuO12",
"formula_anonymous": "AB2C2D3E12",
"energy": -260.0879526,
"energy_per_atom": -6.502198815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -233.7719526,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.151000Z",
"spacegroup": 6
},
{
"id": "mp-766510",
"created_at": "2022-09-04T14:40:19.078057Z",
"structure_string": "Li12 Mn1 Fe3 P4 C4 O28\n1.0\n6.513635 0.000000 0.000000\n0.000000 8.535956 0.000000\n0.000000 0.839274 10.005435\nLi Mn Fe P C O\n12 1 3 4 4 28\ndirect\n0.000000 0.907969 0.620358 Li\n0.000000 0.909524 0.120673 Li\n0.225306 0.725567 0.875689 Li\n0.774694 0.725567 0.875689 Li\n0.226136 0.726367 0.376550 Li\n0.773864 0.726367 0.376550 Li\n0.724212 0.274566 0.623556 Li\n0.275788 0.274566 0.623556 Li\n0.724657 0.274012 0.123058 Li\n0.275343 0.274012 0.123058 Li\n0.500000 0.091746 0.879730 Li\n0.500000 0.092966 0.380213 Li\n0.000000 0.340593 0.389019 Mn\n0.500000 0.665344 0.605778 Fe\n0.500000 0.664681 0.106342 Fe\n0.000000 0.333999 0.894483 Fe\n0.000000 0.586998 0.641650 P\n0.000000 0.589662 0.139668 P\n0.500000 0.412208 0.859266 P\n0.500000 0.411179 0.360013 P\n0.500000 0.965659 0.648834 C\n0.500000 0.965884 0.148566 C\n0.000000 0.034732 0.851327 C\n0.000000 0.032736 0.351751 C\n0.500000 0.928738 0.526242 O\n0.000000 0.888665 0.822000 O\n0.500000 0.929111 0.026003 O\n0.500000 0.852762 0.745319 O\n0.000000 0.886586 0.322180 O\n0.500000 0.852821 0.245010 O\n0.186658 0.688546 0.588017 O\n0.813342 0.688546 0.588017 O\n0.187042 0.689853 0.086035 O\n0.812958 0.689853 0.086035 O\n0.500000 0.578264 0.909611 O\n0.000000 0.571957 0.797852 O\n0.500000 0.578226 0.409391 O\n0.000000 0.576398 0.295686 O\n0.500000 0.428213 0.703160 O\n0.000000 0.420916 0.592017 O\n0.500000 0.428096 0.203478 O\n0.000000 0.421714 0.092971 O\n0.313273 0.310830 0.912550 O\n0.686727 0.310830 0.912550 O\n0.684808 0.309399 0.413494 O\n0.315192 0.309399 0.413494 O\n0.000000 0.147059 0.754881 O\n0.500000 0.111019 0.678227 O\n0.000000 0.144203 0.254610 O\n0.000000 0.071307 0.973694 O\n0.500000 0.111223 0.177945 O\n0.000000 0.068564 0.474154 O\n",
"nsites": 52,
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"elements": [
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"Mn",
"Fe",
"P",
"C",
"O"
],
"chemical_system": "C-Fe-Li-Mn-O-P",
"density": 2.7631297273819437,
"density_atomic": 0.09347420545439858,
"volume": 556.3032041536659,
"volume_molar": 6.442569616639218,
"formula_full": "Li12 Mn1 Fe3 P4 C4 O28",
"formula_reduced": "Li12MnFe3P4(CO7)4",
"formula_anonymous": "AB3C4D4E12F28",
"energy": -377.41137097,
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"energy_uncorrected": -349.73937097,
"band_gap": 3.378,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.769000Z",
"spacegroup": 6
},
{
"id": "mp-1261437",
"created_at": "2022-09-04T14:40:20.373742Z",
"structure_string": "Ce1 Mg6 Al1\n1.0\n7.500045 -0.092731 0.000000\n-3.899728 5.335382 0.000000\n0.000000 0.000000 4.892658\nCe Mg Al\n1 6 1\ndirect\n0.351852 0.256050 0.750000 Ce\n0.159491 0.836574 0.250000 Mg\n0.675876 0.281437 0.250000 Mg\n0.649390 0.752548 0.250000 Mg\n0.322990 0.722211 0.750000 Mg\n0.841890 0.160501 0.750000 Mg\n0.876104 0.675567 0.750000 Mg\n0.122407 0.315114 0.250000 Al\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"Al"
],
"chemical_system": "Al-Ce-Mg",
"density": 2.678312482639145,
"density_atomic": 0.04123427384486994,
"volume": 194.01335961674272,
"volume_molar": 14.604697011656555,
"formula_full": "Ce1 Mg6 Al1",
"formula_reduced": "CeMg6Al",
"formula_anonymous": "ABC6",
"energy": -19.19917976,
"energy_per_atom": -2.39989747,
"energy_above_hull": null,
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"energy_uncorrected": -19.19917976,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:55.295000Z",
"spacegroup": 6
},
{
"id": "mp-1077669",
"created_at": "2022-09-04T14:40:20.142474Z",
"structure_string": "Sr4 Ca4 Ti2 Mn6 O24\n1.0\n7.750689 0.000000 0.000000\n0.000000 7.714799 0.000000\n0.000000 0.006338 7.716697\nSr Ca Ti Mn O\n4 4 2 6 24\ndirect\n0.000000 0.246888 0.753815 Sr\n0.000000 0.753190 0.753881 Sr\n0.500000 0.753448 0.753738 Sr\n0.500000 0.246566 0.246083 Sr\n0.000000 0.245241 0.245398 Ca\n0.000000 0.754752 0.245384 Ca\n0.500000 0.245642 0.754491 Ca\n0.500000 0.754221 0.245282 Ca\n0.250011 0.500001 0.497269 Ti\n0.749989 0.500001 0.497269 Ti\n0.250104 0.000112 0.001102 Mn\n0.250082 0.499957 0.000765 Mn\n0.250082 0.000069 0.498457 Mn\n0.749896 0.000112 0.001102 Mn\n0.749918 0.499957 0.000765 Mn\n0.749918 0.000069 0.498457 Mn\n0.000000 0.000015 0.007041 O\n0.000000 0.499950 0.007500 O\n0.000000 0.000050 0.492772 O\n0.000000 0.499988 0.496101 O\n0.500000 0.999921 0.001009 O\n0.500000 0.500047 0.000669 O\n0.500000 0.999961 0.499253 O\n0.500000 0.500060 0.498526 O\n0.252981 0.003117 0.750195 O\n0.251790 0.498249 0.753342 O\n0.247116 0.996992 0.249848 O\n0.248388 0.501554 0.246741 O\n0.747019 0.003117 0.750195 O\n0.748210 0.498249 0.753342 O\n0.752884 0.996992 0.249848 O\n0.751612 0.501554 0.246741 O\n0.249940 0.249807 0.000849 O\n0.250026 0.750147 0.006993 O\n0.249937 0.246744 0.498616 O\n0.250041 0.753281 0.495353 O\n0.750060 0.249807 0.000849 O\n0.749974 0.750147 0.006993 O\n0.750063 0.246744 0.498616 O\n0.749959 0.753281 0.495353 O\n",
"nsites": 40,
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"elements": [
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"Ti",
"Mn",
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],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 4.750864791966651,
"density_atomic": 0.08668892492077655,
"volume": 461.41995689247824,
"volume_molar": 6.94683982469909,
"formula_full": "Sr4 Ca4 Ti2 Mn6 O24",
"formula_reduced": "Sr2Ca2TiMn3O12",
"formula_anonymous": "AB2C2D3E12",
"energy": -312.82236264,
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"energy_uncorrected": -286.32636264,
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"updated_at": "2021-11-28T01:34:48.435000Z",
"spacegroup": 6
},
{
"id": "mp-1233314",
"created_at": "2022-09-04T14:40:20.169716Z",
"structure_string": "Rb12 Mg1 Cl4 O4\n1.0\n7.935053 -0.077684 0.000000\n-0.079569 8.107406 0.000000\n0.000000 0.000000 11.031178\nRb Mg Cl O\n12 1 4 4\ndirect\n0.045795 0.562050 0.250000 Rb\n0.189522 0.203126 0.466482 Rb\n0.189522 0.203126 0.033518 Rb\n0.258352 0.734280 0.961020 Rb\n0.258352 0.734280 0.538980 Rb\n0.500080 0.923666 0.250000 Rb\n0.566318 0.998708 0.750000 Rb\n0.692234 0.287541 0.051350 Rb\n0.692234 0.287541 0.448650 Rb\n0.776740 0.774789 0.997285 Rb\n0.776740 0.774789 0.502715 Rb\n0.934876 0.466259 0.750000 Rb\n0.361408 0.361094 0.750000 Mg\n0.959422 0.979516 0.250000 Cl\n0.463201 0.510048 0.250000 Cl\n0.555673 0.610652 0.750000 Cl\n0.994459 0.908534 0.750000 Cl\n0.984556 0.488601 0.007213 O\n0.984556 0.488601 0.492787 O\n0.491314 0.001398 0.004977 O\n0.491314 0.001398 0.495023 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Rb",
"Mg",
"Cl",
"O"
],
"chemical_system": "Cl-Mg-O-Rb",
"density": 2.9385482666379827,
"density_atomic": 0.029594252741567163,
"volume": 709.5972377942172,
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