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=-total_magnetization&page=1750",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=1748",
"results": [
{
"id": "mp-1040786",
"created_at": "2022-09-04T14:45:00.297261Z",
"structure_string": "Zn2 W4 O8\n1.0\n5.373151 -3.259265 0.000000\n5.373151 3.259265 0.000000\n3.396135 0.000000 5.287705\nZn W O\n2 4 8\ndirect\n0.006078 0.006078 0.006078 Zn\n0.631588 0.631588 0.631588 Zn\n0.220364 0.220364 0.220364 W\n0.624200 0.123844 0.624200 W\n0.624200 0.624200 0.123844 W\n0.123844 0.624200 0.624200 W\n0.850760 0.387862 0.387862 O\n0.387862 0.387862 0.850760 O\n0.387862 0.850760 0.387862 O\n0.386653 0.386653 0.386653 O\n0.868314 0.868314 0.868314 O\n0.868759 0.400757 0.868759 O\n0.868759 0.868759 0.400757 O\n0.400757 0.868759 0.868759 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"W",
"O"
],
"chemical_system": "O-W-Zn",
"density": 8.913847852327914,
"density_atomic": 0.07559309092006353,
"volume": 185.20211079613617,
"volume_molar": 7.966522716167485,
"formula_full": "Zn2 W4 O8",
"formula_reduced": "Zn(WO2)2",
"formula_anonymous": "AB2C4",
"energy": -114.00688185,
"energy_per_atom": -8.143348703571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.75888185,
"band_gap": 0.1557000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000024,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:50.197000Z",
"spacegroup": 160
},
{
"id": "mp-1519305",
"created_at": "2022-09-04T14:40:33.202878Z",
"structure_string": "Sr2 Ca2 Eu2 Sb2 O12\n1.0\n5.854062 0.000000 0.000000\n0.000000 5.854062 -0.000000\n0.000000 0.000000 8.525552\nSr Ca Eu Sb O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Sr\n0.500000 -0.000000 0.750000 Sr\n0.500000 -0.000000 0.250000 Ca\n-0.000000 0.500000 0.750000 Ca\n0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.000000 -0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.000000 -0.000000 0.264808 O\n0.500000 0.500000 0.235192 O\n-0.000000 -0.000000 0.735192 O\n0.500000 0.500000 0.764808 O\n0.343456 0.193800 0.010218 O\n0.656544 0.806200 0.010218 O\n0.806200 0.343456 0.989782 O\n0.193800 0.656544 0.989782 O\n0.843456 0.306200 0.510218 O\n0.156544 0.693800 0.510218 O\n0.306200 0.156544 0.489782 O\n0.693800 0.843456 0.489782 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Eu",
"Sb",
"O"
],
"chemical_system": "Ca-Eu-O-Sb-Sr",
"density": 5.654104049090195,
"density_atomic": 0.06845305776198467,
"volume": 292.17102425929875,
"volume_molar": 8.797475170414359,
"formula_full": "Sr2 Ca2 Eu2 Sb2 O12",
"formula_reduced": "SrCaEuSbO6",
"formula_anonymous": "ABCDE6",
"energy": -151.79956449,
"energy_per_atom": -7.589978224499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.55556449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.251000Z",
"spacegroup": 118
},
{
"id": "mp-1343548",
"created_at": "2022-09-04T14:48:22.568229Z",
"structure_string": "Mg2 Ni8 O18\n1.0\n5.351488 0.000000 0.000000\n-0.016177 8.138893 0.000000\n-0.038129 -0.316860 8.294646\nMg Ni O\n2 8 18\ndirect\n0.764503 0.753648 0.738666 Mg\n0.235886 0.256725 0.237347 Mg\n0.411086 0.665841 0.465467 Ni\n0.599618 0.530072 0.163945 Ni\n0.404224 0.031357 0.662784 Ni\n0.583902 0.163025 0.968503 Ni\n0.465175 0.835958 0.033066 Ni\n0.449212 0.469381 0.842235 Ni\n0.545798 0.336687 0.531086 Ni\n0.545305 0.969963 0.340104 Ni\n0.494673 0.753387 0.241557 O\n0.519760 0.254090 0.745833 O\n0.870733 0.109996 0.338247 O\n0.874994 0.253294 0.419892 O\n0.898210 0.233409 0.096241 O\n0.905028 0.384232 0.171797 O\n0.094494 0.889140 0.663862 O\n0.095280 0.740888 0.583293 O\n0.130591 0.753764 0.928389 O\n0.123253 0.608410 0.851312 O\n0.625150 0.648522 0.953679 O\n0.580572 0.946190 0.855895 O\n0.570033 0.547817 0.644216 O\n0.588121 0.863437 0.538504 O\n0.377022 0.147375 0.451170 O\n0.412664 0.042164 0.140315 O\n0.421096 0.449455 0.353012 O\n0.413614 0.361773 0.039581 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 3.705316118048169,
"density_atomic": 0.07750331533639969,
"volume": 361.2748677713624,
"volume_molar": 7.770171809891186,
"formula_full": "Mg2 Ni8 O18",
"formula_reduced": "MgNi4O9",
"formula_anonymous": "AB4C9",
"energy": -159.35473083,
"energy_per_atom": -5.691240386785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.12873083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:48.204000Z",
"spacegroup": 1
},
{
"id": "mp-1043149",
"created_at": "2022-09-04T14:41:07.379278Z",
"structure_string": "Mg4 Co4 Ge8 O24\n1.0\n9.060148 0.000000 0.000000\n0.000000 5.446734 0.000000\n0.000000 2.287275 9.592553\nMg Co Ge O\n4 4 8 24\ndirect\n0.491276 0.559147 0.244993 Mg\n0.991276 0.940853 0.755007 Mg\n0.508724 0.440853 0.755007 Mg\n0.008724 0.059147 0.244993 Mg\n0.653868 0.050735 0.244355 Co\n0.153868 0.449265 0.755645 Co\n0.346132 0.949265 0.755645 Co\n0.846132 0.550735 0.244355 Co\n0.338893 0.174618 0.055808 Ge\n0.838893 0.325382 0.944192 Ge\n0.661107 0.825382 0.944192 Ge\n0.161107 0.674618 0.055808 Ge\n0.344009 0.762539 0.459039 Ge\n0.844009 0.737461 0.540961 Ge\n0.655991 0.237461 0.540961 Ge\n0.155991 0.262539 0.459039 Ge\n0.288732 0.499153 0.386510 O\n0.788732 0.000847 0.613490 O\n0.711268 0.500847 0.613490 O\n0.211268 0.999153 0.386510 O\n0.321817 0.831293 0.111113 O\n0.821817 0.668707 0.888887 O\n0.678183 0.168707 0.888887 O\n0.178183 0.331293 0.111113 O\n0.987129 0.308276 0.373546 O\n0.487129 0.191724 0.626454 O\n0.012871 0.691724 0.626454 O\n0.512871 0.808276 0.373546 O\n0.013790 0.777276 0.140556 O\n0.513790 0.722724 0.859444 O\n0.986210 0.222724 0.859444 O\n0.486210 0.277276 0.140556 O\n0.338753 0.239832 0.870989 O\n0.838753 0.260168 0.129011 O\n0.661247 0.760168 0.129011 O\n0.161247 0.739832 0.870989 O\n0.341950 0.671805 0.642440 O\n0.841950 0.828195 0.357560 O\n0.658050 0.328195 0.357560 O\n0.158050 0.171805 0.642440 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-Mg-O",
"density": 4.553419435445655,
"density_atomic": 0.08449953626600276,
"volume": 473.37537893794877,
"volume_molar": 7.126832910706667,
"formula_full": "Mg4 Co4 Ge8 O24",
"formula_reduced": "MgCo(GeO3)2",
"formula_anonymous": "ABC2D6",
"energy": -277.44163987,
"energy_per_atom": -6.93604099675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.40163987,
"band_gap": 1.7168,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.889000Z",
"spacegroup": 14
},
{
"id": "mp-1227689",
"created_at": "2022-09-04T14:45:55.456886Z",
"structure_string": "Ca12 Sc1 Co7 O24\n1.0\n4.573980 4.428577 0.000000\n-4.573980 4.428577 0.000000\n0.000000 0.688858 12.660349\nCa Sc Co O\n12 1 7 24\ndirect\n0.122710 0.877290 0.000000 Ca\n0.117240 0.882760 0.500000 Ca\n0.755404 0.620730 0.188458 Ca\n0.745507 0.620104 0.681369 Ca\n0.379896 0.254493 0.318631 Ca\n0.379270 0.244596 0.811542 Ca\n0.249676 0.388976 0.070889 Ca\n0.249198 0.384074 0.564328 Ca\n0.611024 0.750324 0.929111 Ca\n0.615926 0.750802 0.435672 Ca\n0.886545 0.116009 0.257436 Ca\n0.883992 0.113455 0.742564 Ca\n0.748918 0.251082 0.000000 Sc\n0.498674 0.000265 0.125596 Co\n0.503104 0.001940 0.623453 Co\n0.999735 0.501326 0.874404 Co\n0.998060 0.496896 0.376547 Co\n0.744643 0.255357 0.500000 Co\n0.250279 0.745029 0.253125 Co\n0.254971 0.749721 0.746875 Co\n0.787264 0.957347 0.080759 O\n0.791291 0.961510 0.579095 O\n0.587949 0.291999 0.146151 O\n0.594993 0.290773 0.640706 O\n0.457751 0.088309 0.981017 O\n0.460525 0.087320 0.478450 O\n0.080416 0.448549 0.230523 O\n0.081275 0.454086 0.735133 O\n0.283907 0.584001 0.897770 O\n0.288160 0.584134 0.396056 O\n0.952209 0.785751 0.330690 O\n0.954402 0.781138 0.837257 O\n0.218862 0.045598 0.162743 O\n0.214249 0.047791 0.669310 O\n0.415999 0.716093 0.102230 O\n0.415866 0.711840 0.603944 O\n0.545914 0.918725 0.264867 O\n0.551451 0.919584 0.769477 O\n0.911691 0.542249 0.018983 O\n0.912680 0.539475 0.521550 O\n0.709227 0.405007 0.359294 O\n0.708001 0.412051 0.853849 O\n0.042653 0.212736 0.919241 O\n0.038490 0.208709 0.420905 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 4.28135309559671,
"density_atomic": 0.08578641943473828,
"volume": 512.9016957453604,
"volume_molar": 7.019923199593758,
"formula_full": "Ca12 Sc1 Co7 O24",
"formula_reduced": "Ca12ScCo7O24",
"formula_anonymous": "AB7C12D24",
"energy": -311.05488218,
"energy_per_atom": -7.069429140454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.10088218,
"band_gap": 0.7907000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.909000Z",
"spacegroup": 5
},
{
"id": "mp-623098",
"created_at": "2022-09-04T14:43:16.952143Z",
"structure_string": "Ca4 Fe2 W2 O12\n1.0\n5.583869 0.000000 0.000000\n0.000000 5.673839 0.000000\n0.000000 0.000000 7.884765\nCa Fe W O\n4 2 2 12\ndirect\n0.000000 0.499777 0.262015 Ca\n0.500000 0.992475 0.258668 Ca\n0.000000 0.499777 0.737985 Ca\n0.500000 0.992475 0.741332 Ca\n0.500000 0.522220 0.000000 Fe\n0.000000 0.011548 0.500000 Fe\n0.000000 0.026295 0.000000 W\n0.500000 0.512176 0.500000 W\n0.752401 0.765108 0.500000 O\n0.500000 0.529647 0.746217 O\n0.254108 0.785490 0.000000 O\n0.500000 0.529647 0.253783 O\n0.745892 0.785490 0.000000 O\n0.761764 0.287168 0.000000 O\n0.000000 0.027279 0.251213 O\n0.248132 0.264937 0.500000 O\n0.751868 0.264937 0.500000 O\n0.247599 0.765108 0.500000 O\n0.000000 0.027279 0.748787 O\n0.238236 0.287168 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ca",
"Fe",
"W",
"O"
],
"chemical_system": "Ca-Fe-O-W",
"density": 5.528427985178561,
"density_atomic": 0.0800624751880755,
"volume": 249.8049173850523,
"volume_molar": 7.52180187516478,
"formula_full": "Ca4 Fe2 W2 O12",
"formula_reduced": "Ca2FeWO6",
"formula_anonymous": "ABC2D6",
"energy": -160.27681561000003,
"energy_per_atom": -8.0138407805,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -138.64481561,
"band_gap": 0.5676000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000017,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:06.832000Z",
"spacegroup": 25
},
{
"id": "mp-1220540",
"created_at": "2022-09-04T14:41:24.387429Z",
"structure_string": "Nd4 Fe2 Ni2 O12\n1.0\n5.657758 0.000000 0.000000\n0.000000 5.440621 0.000000\n0.000000 5.420726 7.762787\nNd Fe Ni O\n4 2 2 12\ndirect\n0.940924 0.236325 0.750482 Nd\n0.440924 0.763675 0.749518 Nd\n0.059076 0.763675 0.249518 Nd\n0.559076 0.236325 0.250482 Nd\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.521672 0.337458 0.747823 O\n0.021672 0.662542 0.752177 O\n0.478328 0.662542 0.252177 O\n0.978328 0.337458 0.247823 O\n0.699032 0.163095 0.544396 O\n0.199032 0.836905 0.955604 O\n0.293658 0.254224 0.045408 O\n0.793658 0.745776 0.454592 O\n0.300968 0.836905 0.455604 O\n0.800968 0.163095 0.044396 O\n0.706342 0.745776 0.954592 O\n0.206342 0.254224 0.545408 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Nd-Ni-O",
"density": 6.935623187130647,
"density_atomic": 0.08369884883225734,
"volume": 238.95191246993647,
"volume_molar": 7.195010258825784,
"formula_full": "Nd4 Fe2 Ni2 O12",
"formula_reduced": "Nd2FeNiO6",
"formula_anonymous": "ABC2D6",
"energy": -159.22061184,
"energy_per_atom": -7.961030592,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.38261184,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.081000Z",
"spacegroup": 14
},
{
"id": "mp-754452",
"created_at": "2022-09-04T14:44:15.230366Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.816816 0.000000 0.000000\n0.030563 5.694668 0.000000\n0.062140 0.661951 7.802484\nLi V O F\n1 6 7 5\ndirect\n0.499675 0.230299 0.764984 Li\n0.488037 0.516722 0.010552 V\n0.525215 0.799658 0.649138 V\n0.539315 0.171171 0.340121 V\n0.988003 0.349697 0.674392 V\n0.972655 0.662469 0.314742 V\n0.983673 0.004478 0.017182 V\n0.192426 0.714075 0.094893 O\n0.315354 0.523763 0.763101 O\n0.690530 0.469349 0.228740 O\n0.691621 0.128565 0.577135 O\n0.793008 0.972721 0.232823 O\n0.797089 0.298111 0.901065 O\n0.812931 0.629503 0.554375 O\n0.197970 0.360821 0.430795 F\n0.203561 0.027842 0.773805 F\n0.298478 0.205941 0.109899 F\n0.300607 0.864927 0.427682 F\n0.696179 0.805689 0.894420 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.031237118792081,
"density_atomic": 0.0887753202533098,
"volume": 214.02344644644214,
"volume_molar": 6.783575370741033,
"formula_full": "Li1 V6 O7 F5",
"formula_reduced": "LiV6O7F5",
"formula_anonymous": "AB5C6D7",
"energy": -152.15792718999998,
"energy_per_atom": -8.00831195736842,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.83892719,
"band_gap": 1.0366000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000016,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.708000Z",
"spacegroup": 1
},
{
"id": "mp-1181907",
"created_at": "2022-09-04T14:47:22.625155Z",
"structure_string": "Co2 Br4 O12\n1.0\n5.452123 0.000000 0.000000\n0.000000 8.329938 0.000000\n0.000000 2.985649 10.863326\nCo Br O\n2 4 12\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.750000 0.734248 0.895208 Br\n0.250000 0.265752 0.104792 Br\n0.750000 0.624212 0.445771 Br\n0.250000 0.375788 0.554229 Br\n0.750000 0.330606 0.847125 O\n0.250000 0.669394 0.152875 O\n0.750000 0.442753 0.101413 O\n0.250000 0.557247 0.898587 O\n0.750000 0.176567 0.876488 O\n0.250000 0.823433 0.123512 O\n0.750000 0.232505 0.364778 O\n0.250000 0.767495 0.635222 O\n0.750000 0.457810 0.575869 O\n0.250000 0.542190 0.424131 O\n0.750000 0.103056 0.449115 O\n0.250000 0.896944 0.550885 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Br",
"O"
],
"chemical_system": "Br-Co-O",
"density": 2.118641566183062,
"density_atomic": 0.03648398584972148,
"volume": 493.3671467295949,
"volume_molar": 16.506257799806633,
"formula_full": "Co2 Br4 O12",
"formula_reduced": "Co(BrO3)2",
"formula_anonymous": "AB2C6",
"energy": -82.22133456,
"energy_per_atom": -4.56785192,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.01333456,
"band_gap": 0.3973000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.520000Z",
"spacegroup": 11
},
{
"id": "mp-757773",
"created_at": "2022-09-04T14:42:15.051598Z",
"structure_string": "Li10 V10 O24\n1.0\n5.090065 0.000000 0.000000\n2.510784 4.441989 0.000000\n1.600611 0.154815 19.715298\nLi V O\n10 10 24\ndirect\n0.662716 0.177728 0.998529 Li\n0.422198 0.181001 0.751657 Li\n0.378357 0.499735 0.875496 Li\n0.159949 0.172811 0.498304 Li\n0.016236 0.500856 0.998338 Li\n0.234097 0.496187 0.251378 Li\n0.905909 0.183516 0.251316 Li\n0.098011 0.829763 0.751470 Li\n0.874222 0.500753 0.374846 Li\n0.514081 0.494293 0.498437 Li\n0.792434 0.169807 0.625253 V\n0.541115 0.167573 0.376157 V\n0.037989 0.175300 0.872936 V\n0.293653 0.164028 0.125420 V\n0.121076 0.505114 0.624574 V\n0.704037 0.830109 0.876245 V\n0.621643 0.506553 0.125058 V\n0.953391 0.839738 0.125129 V\n0.461410 0.834737 0.624788 V\n0.210350 0.828953 0.373919 V\n0.761885 0.132799 0.820765 O\n0.847657 0.149970 0.427279 O\n0.345820 0.146711 0.927401 O\n0.470770 0.180797 0.570282 O\n0.611306 0.168815 0.180446 O\n0.252741 0.150185 0.322103 O\n0.112368 0.159890 0.679765 O\n0.437866 0.497084 0.680699 O\n0.240516 0.470851 0.430225 O\n0.041425 0.487863 0.821628 O\n0.967244 0.173879 0.070264 O\n0.301498 0.500488 0.069922 O\n0.731969 0.473339 0.929164 O\n0.947076 0.498821 0.180911 O\n0.807898 0.480723 0.568988 O\n0.144019 0.844233 0.569942 O\n0.983309 0.857234 0.928160 O\n0.534552 0.475716 0.319901 O\n0.775007 0.857819 0.679936 O\n0.904285 0.852939 0.323108 O\n0.668475 0.835713 0.069519 O\n0.380785 0.866317 0.822503 O\n0.490363 0.852749 0.427541 O\n0.247440 0.834153 0.180081 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.586623646905193,
"density_atomic": 0.0987071297657047,
"volume": 445.7631389388002,
"volume_molar": 6.101019018883845,
"formula_full": "Li10 V10 O24",
"formula_reduced": "Li5V5O12",
"formula_anonymous": "A5B5C12",
"energy": -335.40329172,
"energy_per_atom": -7.622802084545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.91529172,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.015000Z",
"spacegroup": 1
},
{
"id": "mp-1247114",
"created_at": "2022-09-04T14:42:56.871020Z",
"structure_string": "Mg2 Cr3 Mo1 S8\n1.0\n6.317779 0.018261 3.677707\n2.123184 5.950561 3.677631\n0.026123 0.018380 7.310168\nMg Cr Mo S\n2 3 1 8\ndirect\n0.874448 0.874469 0.874468 Mg\n0.125534 0.125516 0.125534 Mg\n0.500159 0.499937 0.000018 Cr\n0.999851 0.500086 0.500253 Cr\n0.500063 0.000074 0.499749 Cr\n0.499997 0.499998 0.499979 Mo\n0.736406 0.736378 0.736395 S\n0.258510 0.258528 0.712458 S\n0.258520 0.712449 0.258520 S\n0.712451 0.258521 0.258504 S\n0.741455 0.287537 0.741475 S\n0.287529 0.741457 0.741486 S\n0.263598 0.263569 0.263621 S\n0.741483 0.741478 0.287541 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Mo",
"S"
],
"chemical_system": "Cr-Mg-Mo-S",
"density": 3.3798729720981378,
"density_atomic": 0.05115389020197682,
"volume": 273.6839748594326,
"volume_molar": 11.77259585971289,
"formula_full": "Mg2 Cr3 Mo1 S8",
"formula_reduced": "Mg2Cr3MoS8",
"formula_anonymous": "AB2C3D8",
"energy": -91.61592946,
"energy_per_atom": -6.543994961428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.59192946,
"band_gap": 0.3264000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:58.347000Z",
"spacegroup": 166
},
{
"id": "mp-1212748",
"created_at": "2022-09-04T14:45:56.393675Z",
"structure_string": "Fe3 As2 O8\n1.0\n-0.129732 0.000000 -4.806996\n-4.825908 -7.031428 1.112046\n-4.825908 7.031428 1.112046\nFe As O\n3 2 8\ndirect\n0.000000 0.599495 0.400505 Fe\n0.000000 0.400505 0.599495 Fe\n0.000000 0.000000 0.000000 Fe\n0.628589 0.688623 0.688623 As\n0.371411 0.311377 0.311377 As\n0.766545 0.537509 0.748592 O\n0.233455 0.462491 0.251408 O\n0.233455 0.251408 0.462491 O\n0.766545 0.748592 0.537509 O\n0.665625 0.867566 0.867566 O\n0.334375 0.132434 0.132434 O\n0.731061 0.375511 0.375511 O\n0.268939 0.624489 0.624489 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Fe",
"As",
"O"
],
"chemical_system": "As-Fe-O",
"density": 2.252965553697048,
"density_atomic": 0.039602675879225745,
"volume": 328.2606468220843,
"volume_molar": 15.20639862408645,
"formula_full": "Fe3 As2 O8",
"formula_reduced": "Fe3(AsO4)2",
"formula_anonymous": "A2B3C8",
"energy": -92.72704909,
"energy_per_atom": -7.13284993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.46304909,
"band_gap": 1.7859,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000012,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.874000Z",
"spacegroup": 12
}
]
}