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=density_atomic&page=1726",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density_atomic&page=1724",
"results": [
{
"id": "mp-29342",
"created_at": "2022-09-04T14:47:06.257894Z",
"structure_string": "Ca3 P1 Cl3\n1.0\n5.713182 0.000000 0.000000\n0.000000 5.713182 0.000000\n0.000000 0.000000 5.713182\nCa P Cl\n3 1 3\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"P",
"Cl"
],
"chemical_system": "Ca-Cl-P",
"density": 2.2935316521388778,
"density_atomic": 0.03753737182916544,
"volume": 186.48082321419224,
"volume_molar": 16.043053806236305,
"formula_full": "Ca3 P1 Cl3",
"formula_reduced": "Ca3PCl3",
"formula_anonymous": "AB3C3",
"energy": -32.88825558,
"energy_per_atom": -4.698322225714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.04625558,
"band_gap": 1.8419000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0034436,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:51.062000Z",
"spacegroup": 221
},
{
"id": "mp-558801",
"created_at": "2022-09-04T14:46:06.975196Z",
"structure_string": "K4 Pr8 Cl18 O4\n1.0\n11.496786 0.000000 0.000000\n0.000000 8.479488 0.000000\n0.000000 2.392224 9.291088\nK Pr Cl O\n4 8 18 4\ndirect\n0.451692 0.760723 0.446696 K\n0.951692 0.239277 0.553304 K\n0.548308 0.239277 0.553304 K\n0.048308 0.760723 0.446696 K\n0.750000 0.618447 0.160761 Pr\n0.250000 0.381553 0.839239 Pr\n0.456634 0.715606 0.955917 Pr\n0.956634 0.284394 0.044083 Pr\n0.543366 0.284394 0.044083 Pr\n0.250000 0.387293 0.214072 Pr\n0.750000 0.612707 0.785928 Pr\n0.043366 0.715606 0.955917 Pr\n0.414706 0.122019 0.300288 Cl\n0.092575 0.106493 0.876118 Cl\n0.250000 0.748448 0.134420 Cl\n0.750000 0.251552 0.865580 Cl\n0.500184 0.510137 0.276921 Cl\n0.585294 0.877981 0.699712 Cl\n0.250000 0.399783 0.522226 Cl\n0.750000 0.600217 0.477774 Cl\n0.085294 0.122019 0.300288 Cl\n0.907425 0.893507 0.123882 Cl\n0.000184 0.489863 0.723079 Cl\n0.407425 0.106493 0.876118 Cl\n0.499816 0.489863 0.723079 Cl\n0.592575 0.893507 0.123882 Cl\n0.914706 0.877981 0.699712 Cl\n0.999816 0.510137 0.276921 Cl\n0.250000 0.747365 0.757088 Cl\n0.750000 0.252635 0.242912 Cl\n0.121509 0.451791 0.011138 O\n0.878491 0.548209 0.988862 O\n0.378491 0.451791 0.011138 O\n0.621509 0.548209 0.988862 O\n",
"nsites": 34,
"nelements": 4,
"elements": [
"K",
"Pr",
"Cl",
"O"
],
"chemical_system": "Cl-K-O-Pr",
"density": 3.6406025177305077,
"density_atomic": 0.037537579597354515,
"volume": 905.7589851210378,
"volume_molar": 16.042965008922454,
"formula_full": "K4 Pr8 Cl18 O4",
"formula_reduced": "K2Pr4Cl9O2",
"formula_anonymous": "A2B2C4D9",
"energy": -191.48645673,
"energy_per_atom": -5.631954609705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.68645673,
"band_gap": 0.1636999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0010644,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.061000Z",
"spacegroup": 11
},
{
"id": "mp-1096802",
"created_at": "2022-09-04T14:44:08.817184Z",
"structure_string": "Ag4 Ge2 Se6\n1.0\n3.644292 -6.346061 0.000000\n3.644292 6.346061 0.000000\n0.000000 0.000000 6.911319\nAg Ge Se\n4 2 6\ndirect\n0.987820 0.309982 0.991648 Ag\n0.309982 0.987820 0.991648 Ag\n0.012180 0.690018 0.491648 Ag\n0.690018 0.012180 0.491648 Ag\n0.652637 0.652637 0.961976 Ge\n0.347363 0.347363 0.461976 Ge\n0.039122 0.354895 0.371432 Se\n0.354895 0.039122 0.371432 Se\n0.960878 0.645105 0.871432 Se\n0.645105 0.960878 0.871432 Se\n0.662127 0.662127 0.328865 Se\n0.337873 0.337873 0.828865 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ag",
"Ge",
"Se"
],
"chemical_system": "Ag-Ge-Se",
"density": 5.456851074862193,
"density_atomic": 0.03753815312734939,
"volume": 319.6747575537244,
"volume_molar": 16.04271989506168,
"formula_full": "Ag4 Ge2 Se6",
"formula_reduced": "Ag2GeSe3",
"formula_anonymous": "AB2C3",
"energy": -46.68215681,
"energy_per_atom": -3.890179734166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.85015681,
"band_gap": 0.1251,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009442,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.524000Z",
"spacegroup": 36
},
{
"id": "mp-1078949",
"created_at": "2022-09-04T14:42:40.100931Z",
"structure_string": "Ba2 Mn2 Sb2 F2\n1.0\n4.605230 0.000000 0.000000\n0.000000 4.605230 0.000000\n0.000000 0.000000 10.048675\nBa Mn Sb F\n2 2 2 2\ndirect\n0.000000 0.500000 0.644458 Ba\n0.500000 0.000000 0.355542 Ba\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.172401 Sb\n0.500000 0.000000 0.827599 Sb\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Sb",
"F"
],
"chemical_system": "Ba-F-Mn-Sb",
"density": 5.1897024196753785,
"density_atomic": 0.037538640181070754,
"volume": 213.1137399067024,
"volume_molar": 16.042511745102388,
"formula_full": "Ba2 Mn2 Sb2 F2",
"formula_reduced": "BaMnSbF",
"formula_anonymous": "ABCD",
"energy": -49.18769117,
"energy_per_atom": -6.14846139625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.54369117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.374000Z",
"spacegroup": 129
},
{
"id": "mp-1232338",
"created_at": "2022-09-04T14:42:04.338414Z",
"structure_string": "Y6 Mg6 Se18\n1.0\n6.913948 0.000000 0.000000\n-3.456974 5.987655 0.000000\n0.000000 0.000000 19.304446\nY Mg Se\n6 6 18\ndirect\n0.000000 0.000000 0.347374 Y\n0.000000 0.000000 0.652626 Y\n0.666667 0.333333 0.680707 Y\n0.666667 0.333333 0.985959 Y\n0.333333 0.666667 0.014041 Y\n0.333333 0.666667 0.319293 Y\n0.000000 0.000000 0.161287 Mg\n0.000000 0.000000 0.838713 Mg\n0.666667 0.333333 0.494620 Mg\n0.666667 0.333333 0.172046 Mg\n0.333333 0.666667 0.827954 Mg\n0.333333 0.666667 0.505380 Mg\n0.993830 0.360002 0.583553 Se\n0.006170 0.639998 0.416447 Se\n0.639998 0.633828 0.583553 Se\n0.360002 0.366172 0.416447 Se\n0.366172 0.006170 0.583553 Se\n0.633828 0.993830 0.416447 Se\n0.660497 0.693335 0.916886 Se\n0.672837 0.973331 0.749780 Se\n0.306665 0.967161 0.916886 Se\n0.026669 0.699505 0.749780 Se\n0.032839 0.339503 0.916886 Se\n0.300495 0.327163 0.749780 Se\n0.327163 0.026669 0.250220 Se\n0.339503 0.306665 0.083114 Se\n0.973331 0.300495 0.250220 Se\n0.693335 0.032839 0.083114 Se\n0.699505 0.672837 0.250220 Se\n0.967161 0.660497 0.083114 Se\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.364564213570515,
"density_atomic": 0.037538856070165126,
"volume": 799.1719285192389,
"volume_molar": 16.042419483278383,
"formula_full": "Y6 Mg6 Se18",
"formula_reduced": "YMgSe3",
"formula_anonymous": "ABC3",
"energy": -156.60775362,
"energy_per_atom": -5.2202584540000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.11175362,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6952541,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.366000Z",
"spacegroup": 148
},
{
"id": "mp-1232266",
"created_at": "2022-09-04T14:40:59.761994Z",
"structure_string": "Tm8 Mg4 S16\n1.0\n7.147706 0.000000 0.000000\n-0.002787 8.262013 0.000000\n-1.236851 -2.099987 12.630361\nTm Mg S\n8 4 16\ndirect\n0.864509 0.299663 0.695359 Tm\n0.135491 0.700337 0.304641 Tm\n0.758441 0.126840 0.000656 Tm\n0.241559 0.873160 0.999344 Tm\n0.632055 0.445221 0.303018 Tm\n0.367945 0.554779 0.696982 Tm\n0.633032 0.956401 0.306132 Tm\n0.366968 0.043599 0.693868 Tm\n0.866578 0.799920 0.700624 Mg\n0.133422 0.200080 0.299376 Mg\n0.750853 0.623187 0.996491 Mg\n0.249147 0.376813 0.003509 Mg\n0.903766 0.352521 0.895827 S\n0.096234 0.647479 0.104173 S\n0.894653 0.846390 0.893033 S\n0.105347 0.153610 0.106967 S\n0.826706 0.218568 0.372021 S\n0.173294 0.781432 0.627979 S\n0.809163 0.718007 0.374178 S\n0.190837 0.281993 0.625822 S\n0.694558 0.023187 0.629050 S\n0.305442 0.976813 0.370950 S\n0.693297 0.541399 0.629268 S\n0.306703 0.458601 0.370732 S\n0.603366 0.899267 0.105014 S\n0.396634 0.100733 0.894986 S\n0.597895 0.405182 0.102787 S\n0.402105 0.594818 0.897213 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tm",
"density": 4.367378455088125,
"density_atomic": 0.037539606237427206,
"volume": 745.8788944910093,
"volume_molar": 16.042098901921594,
"formula_full": "Tm8 Mg4 S16",
"formula_reduced": "Tm2MgS4",
"formula_anonymous": "AB2C4",
"energy": -163.93047831,
"energy_per_atom": -5.854659939642858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.88247831,
"band_gap": 2.6655,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0012638,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.331000Z",
"spacegroup": 2
},
{
"id": "mp-978965",
"created_at": "2022-09-04T14:42:13.056929Z",
"structure_string": "Th3 Ni1\n1.0\n-2.318165 2.318165 4.957023\n2.318165 -2.318165 4.957023\n2.318165 2.318165 -4.957023\nTh Ni\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Ni"
],
"chemical_system": "Ni-Th",
"density": 11.762936050655538,
"density_atomic": 0.0375396636437627,
"volume": 106.5539648399223,
"volume_molar": 16.042074370052575,
"formula_full": "Th3 Ni1",
"formula_reduced": "Th3Ni",
"formula_anonymous": "AB3",
"energy": -27.29962939,
"energy_per_atom": -6.8249073475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.29962939,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.76e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.275000Z",
"spacegroup": 139
},
{
"id": "mp-13305",
"created_at": "2022-09-04T14:40:56.509668Z",
"structure_string": "Sm1 Sn1 Au1\n1.0\n0.000000 3.418742 3.418742\n3.418742 0.000000 3.418742\n3.418742 3.418742 0.000000\nSm Sn Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sm",
"Sn",
"Au"
],
"chemical_system": "Au-Sm-Sn",
"density": 9.683673003773642,
"density_atomic": 0.037539827860175796,
"volume": 79.91512404303154,
"volume_molar": 16.042004194666543,
"formula_full": "Sm1 Sn1 Au1",
"formula_reduced": "SmSnAu",
"formula_anonymous": "ABC",
"energy": -14.56936203,
"energy_per_atom": -4.85645401,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.56936203,
"band_gap": 0.0655000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000465,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:00.053000Z",
"spacegroup": 216
},
{
"id": "mp-36819",
"created_at": "2022-09-04T14:46:15.116316Z",
"structure_string": "Sr2 Ce4 Se8\n1.0\n-4.535481 4.535481 4.532392\n4.535481 -4.535481 4.532392\n4.535481 4.535481 -4.532392\nSr Ce Se\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.998231 0.375000 0.123231 Ce\n0.251769 0.875000 0.876769 Ce\n0.625000 0.748231 0.623231 Ce\n0.125000 0.001769 0.376769 Ce\n0.519880 0.115344 0.749050 Se\n0.020831 0.116294 0.750950 Se\n0.365344 0.269880 0.249050 Se\n0.229169 0.480120 0.595464 Se\n0.366294 0.770831 0.250950 Se\n0.883706 0.634656 0.904536 Se\n0.884656 0.633706 0.404536 Se\n0.730120 0.979169 0.095464 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Ce",
"Se"
],
"chemical_system": "Ce-Se-Sr",
"density": 6.088431605966881,
"density_atomic": 0.03753996610462801,
"volume": 372.9358721577015,
"volume_molar": 16.041945118478882,
"formula_full": "Sr2 Ce4 Se8",
"formula_reduced": "Sr(CeSe2)2",
"formula_anonymous": "AB2C4",
"energy": -85.36698623,
"energy_per_atom": -6.097641873571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.59098623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.017000Z",
"spacegroup": 122
},
{
"id": "mp-1220294",
"created_at": "2022-09-04T14:40:54.228543Z",
"structure_string": "Nd2 Sn4 Pd1\n1.0\n0.000000 0.000000 4.539394\n4.497139 0.000000 0.000000\n2.248570 9.134085 0.000000\nNd Sn Pd\n2 4 1\ndirect\n0.250000 0.895212 0.209575 Nd\n0.750000 0.103735 0.792531 Nd\n0.250000 0.540233 0.919535 Sn\n0.750000 0.439006 0.121989 Sn\n0.250000 0.262962 0.474075 Sn\n0.750000 0.761232 0.477536 Sn\n0.250000 0.682620 0.634760 Pd\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Nd",
"Sn",
"Pd"
],
"chemical_system": "Nd-Pd-Sn",
"density": 7.745354495134095,
"density_atomic": 0.03754039178809018,
"volume": 186.46582165455112,
"volume_molar": 16.041763213325183,
"formula_full": "Nd2 Sn4 Pd1",
"formula_reduced": "Nd2Sn4Pd",
"formula_anonymous": "AB2C4",
"energy": -35.52762993,
"energy_per_atom": -5.075375704285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.52762993,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001583,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.559000Z",
"spacegroup": 38
},
{
"id": "mp-866295",
"created_at": "2022-09-04T14:44:41.466050Z",
"structure_string": "Dy1 Lu1 Mg2\n1.0\n0.000000 3.762773 3.762773\n3.762773 0.000000 3.762773\n3.762773 3.762773 0.000000\nDy Lu Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Dy",
"Lu",
"Mg"
],
"chemical_system": "Dy-Lu-Mg",
"density": 6.016847088666794,
"density_atomic": 0.03754100877479822,
"volume": 106.55014690722038,
"volume_molar": 16.041499566848994,
"formula_full": "Dy1 Lu1 Mg2",
"formula_reduced": "DyLuMg2",
"formula_anonymous": "ABC2",
"energy": -12.57325746,
"energy_per_atom": -3.143314365,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.57325746,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0431052,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.870000Z",
"spacegroup": 225
},
{
"id": "mp-554921",
"created_at": "2022-09-04T14:42:04.501102Z",
"structure_string": "Hg2 Bi4 S8\n1.0\n2.052468 7.256728 0.000000\n-2.052468 7.256728 0.000000\n0.000000 6.873216 12.519000\nHg Bi S\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.500000 Hg\n0.348351 0.348351 0.863900 Bi\n0.776489 0.776489 0.368599 Bi\n0.651649 0.651649 0.136100 Bi\n0.223511 0.223511 0.631401 Bi\n0.000923 0.000923 0.168068 S\n0.691977 0.691977 0.936290 S\n0.156118 0.156118 0.329618 S\n0.308023 0.308023 0.063710 S\n0.999077 0.999077 0.831932 S\n0.371360 0.371360 0.427590 S\n0.843882 0.843882 0.670382 S\n0.628640 0.628640 0.572410 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Hg",
"Bi",
"S"
],
"chemical_system": "Bi-Hg-S",
"density": 6.650783461820673,
"density_atomic": 0.03754146020604375,
"volume": 372.92102979377876,
"volume_molar": 16.041306669873496,
"formula_full": "Hg2 Bi4 S8",
"formula_reduced": "Hg(BiS2)2",
"formula_anonymous": "AB2C4",
"energy": -57.43424814,
"energy_per_atom": -4.1024462957142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.41024814,
"band_gap": 1.1861000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0028165,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:35.064000Z",
"spacegroup": 12
}
]
}