HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12193",
"results": [
{
"id": "mp-1195824",
"created_at": "2022-09-04T14:40:31.367063Z",
"structure_string": "V4 H32 N8 O4 F16\n1.0\n0.000000 0.000000 5.922718\n7.777797 0.000000 0.000000\n0.000000 11.893730 0.000000\nV H N O F\n4 32 8 4 16\ndirect\n0.254588 0.673237 0.434848 V\n0.754588 0.326763 0.565152 V\n0.754588 0.826763 0.934848 V\n0.254588 0.173237 0.065152 V\n0.234589 0.777248 0.123179 H\n0.734589 0.222752 0.876821 H\n0.734589 0.722752 0.623179 H\n0.234589 0.277248 0.376821 H\n0.239716 0.563528 0.155503 H\n0.739716 0.436472 0.844497 H\n0.739716 0.936472 0.655503 H\n0.239716 0.063528 0.344497 H\n0.088964 0.636582 0.043828 H\n0.588964 0.363418 0.956172 H\n0.588964 0.863418 0.543828 H\n0.088964 0.136582 0.456172 H\n0.370379 0.640720 0.038062 H\n0.870379 0.359280 0.961938 H\n0.870379 0.859280 0.538062 H\n0.370379 0.140720 0.461938 H\n0.214000 0.081047 0.710530 H\n0.714000 0.918953 0.289470 H\n0.714000 0.418953 0.210530 H\n0.214000 0.581047 0.789470 H\n0.382029 0.011975 0.817730 H\n0.882029 0.988025 0.182270 H\n0.882029 0.488025 0.317730 H\n0.382029 0.511975 0.682270 H\n0.100498 0.986786 0.824599 H\n0.600498 0.013214 0.175401 H\n0.600498 0.513214 0.324599 H\n0.100498 0.486786 0.675401 H\n0.252014 0.872511 0.730779 H\n0.752014 0.127489 0.269221 H\n0.752014 0.627489 0.230779 H\n0.252014 0.372511 0.769221 H\n0.737996 0.511190 0.271587 N\n0.237996 0.488810 0.728413 N\n0.237996 0.988810 0.771587 N\n0.737996 0.011190 0.228413 N\n0.233155 0.652855 0.091213 N\n0.733155 0.347145 0.908787 N\n0.733155 0.847145 0.591213 N\n0.233155 0.152855 0.408787 N\n0.451857 0.802513 0.383078 O\n0.951857 0.197487 0.616922 O\n0.951857 0.697487 0.883078 O\n0.451857 0.302513 0.116922 O\n0.225089 0.002342 0.186101 F\n0.725089 0.997658 0.813899 F\n0.725089 0.497658 0.686101 F\n0.225089 0.502342 0.313899 F\n0.715925 0.722693 0.082226 F\n0.215925 0.277307 0.917774 F\n0.215925 0.777307 0.582226 F\n0.715925 0.222693 0.417774 F\n0.466176 0.503659 0.502266 F\n0.966176 0.496341 0.497734 F\n0.966176 0.996341 0.002266 F\n0.466176 0.003659 0.997734 F\n0.989226 0.795594 0.385214 F\n0.489226 0.204406 0.614786 F\n0.489226 0.704406 0.885214 F\n0.989226 0.295594 0.114786 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"V",
"H",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-V",
"density": 2.170171837233387,
"density_atomic": 0.11681113392416718,
"volume": 547.892977749435,
"volume_molar": 5.155450989722884,
"formula_full": "V4 H32 N8 O4 F16",
"formula_reduced": "VH8N2OF4",
"formula_anonymous": "ABC2D4E8",
"energy": -358.07138861,
"energy_per_atom": -5.59486544703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -338.24338861,
"band_gap": 2.8379000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0013527,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.475000Z",
"spacegroup": 33
},
{
"id": "mp-1219308",
"created_at": "2022-09-04T14:40:31.385564Z",
"structure_string": "Sc4 Ni4 B4 O16\n1.0\n3.231526 0.000000 0.000000\n0.000000 9.421459 0.000000\n0.000000 0.000000 9.577611\nSc Ni B O\n4 4 4 16\ndirect\n0.500000 0.888846 0.827042 Sc\n0.500000 0.388846 0.172958 Sc\n0.500000 0.898796 0.443504 Sc\n0.500000 0.398796 0.556496 Sc\n0.000000 0.120904 0.685214 Ni\n0.000000 0.620904 0.314786 Ni\n0.000000 0.101839 0.054250 Ni\n0.000000 0.601839 0.945750 Ni\n0.000000 0.169293 0.371716 B\n0.000000 0.669293 0.628284 B\n0.500000 0.830653 0.126283 B\n0.500000 0.330653 0.873717 B\n0.000000 0.248684 0.495847 O\n0.000000 0.748684 0.504153 O\n0.500000 0.747587 0.004335 O\n0.500000 0.247587 0.995665 O\n0.000000 0.232779 0.242771 O\n0.000000 0.732779 0.757229 O\n0.500000 0.764632 0.257776 O\n0.500000 0.264632 0.742224 O\n0.000000 0.008855 0.867164 O\n0.000000 0.508855 0.132836 O\n0.500000 0.988038 0.631252 O\n0.500000 0.488038 0.368748 O\n0.000000 0.023506 0.382889 O\n0.000000 0.523506 0.617111 O\n0.500000 0.975590 0.115259 O\n0.500000 0.475590 0.884741 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Sc",
"Ni",
"B",
"O"
],
"chemical_system": "B-Ni-O-Sc",
"density": 4.065012497829141,
"density_atomic": 0.09602294474386908,
"volume": 291.59697273070515,
"volume_molar": 6.271564339193529,
"formula_full": "Sc4 Ni4 B4 O16",
"formula_reduced": "ScNiBO4",
"formula_anonymous": "ABCD4",
"energy": -232.57997516,
"energy_per_atom": -8.306427684285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.42397516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.562000Z",
"spacegroup": 26
},
{
"id": "mp-1216871",
"created_at": "2022-09-04T14:40:31.391257Z",
"structure_string": "Tm8 Si4 Pd8\n1.0\n0.000000 0.000000 4.105679\n7.492795 0.000000 0.000000\n0.000000 13.612142 0.000000\nTm Si Pd\n8 4 8\ndirect\n0.500000 0.042503 0.374093 Tm\n0.500000 0.957496 0.625907 Tm\n0.000000 0.542504 0.125907 Tm\n0.000000 0.457496 0.874093 Tm\n0.500000 0.948637 0.130771 Tm\n0.500000 0.051363 0.869229 Tm\n0.000000 0.448637 0.369229 Tm\n0.000000 0.551363 0.630771 Tm\n0.500000 0.652860 0.472254 Si\n0.500000 0.347140 0.527746 Si\n0.000000 0.152860 0.027746 Si\n0.000000 0.847140 0.972254 Si\n0.500000 0.672772 0.280969 Pd\n0.500000 0.327228 0.719031 Pd\n0.000000 0.172772 0.219031 Pd\n0.000000 0.827228 0.780969 Pd\n0.500000 0.678720 0.980819 Pd\n0.500000 0.321280 0.019181 Pd\n0.000000 0.178720 0.519181 Pd\n0.000000 0.821280 0.480819 Pd\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tm",
"Si",
"Pd"
],
"chemical_system": "Pd-Si-Tm",
"density": 9.18074101476403,
"density_atomic": 0.047761139829458184,
"volume": 418.75047520671546,
"volume_molar": 12.608871525058651,
"formula_full": "Tm8 Si4 Pd8",
"formula_reduced": "Tm2SiPd2",
"formula_anonymous": "AB2C2",
"energy": -115.04790142000002,
"energy_per_atom": -5.7523950710000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -115.04790142000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.319000Z",
"spacegroup": 58
},
{
"id": "mp-1097434",
"created_at": "2022-09-04T14:40:31.500973Z",
"structure_string": "Nb2 Os1 W1\n1.0\n-4.560060 5.515671 7.721420\n4.560060 -5.515671 7.721420\n4.560060 5.515671 -7.721420\nNb Os W\n2 1 1\ndirect\n0.000000 0.251224 0.251224 Nb\n0.000000 0.748776 0.748776 Nb\n0.000000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Os",
"W"
],
"chemical_system": "Nb-Os-W",
"density": 1.1967959597479645,
"density_atomic": 0.005149130673780501,
"volume": 776.8301589952063,
"volume_molar": 116.95451410205781,
"formula_full": "Nb2 Os1 W1",
"formula_reduced": "Nb2OsW",
"formula_anonymous": "ABC2",
"energy": -26.08162253,
"energy_per_atom": -6.5204056325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.08162253,
"band_gap": 0.2274000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1590267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.881000Z",
"spacegroup": 71
},
{
"id": "mp-1079574",
"created_at": "2022-09-04T14:40:31.641781Z",
"structure_string": "Te4 Pb4\n1.0\n4.587522 0.000000 0.000000\n0.000000 4.656687 0.000000\n0.000000 0.000000 13.934149\nTe Pb\n4 4\ndirect\n0.941815 0.750000 0.370299 Te\n0.558185 0.750000 0.870299 Te\n0.058185 0.250000 0.629701 Te\n0.441815 0.250000 0.129701 Te\n0.933604 0.750000 0.152119 Pb\n0.566396 0.750000 0.652119 Pb\n0.066396 0.250000 0.847881 Pb\n0.433604 0.250000 0.347881 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Te",
"Pb"
],
"chemical_system": "Pb-Te",
"density": 7.470658429131061,
"density_atomic": 0.026875362392864453,
"volume": 297.67040470211634,
"volume_molar": 22.407663465028882,
"formula_full": "Te4 Pb4",
"formula_reduced": "TePb",
"formula_anonymous": "AB",
"energy": -31.91391653,
"energy_per_atom": -3.98923956625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.22591653,
"band_gap": 0.8023999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001659,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.300000Z",
"spacegroup": 62
},
{
"id": "mp-1205473",
"created_at": "2022-09-04T14:40:30.818910Z",
"structure_string": "Zr10 Ag2 Pb6\n1.0\n4.441265 -7.692497 0.000000\n4.441265 7.692497 0.000000\n0.000000 0.000000 5.997347\nZr Ag Pb\n10 2 6\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.333333 0.666667 0.500000 Zr\n0.666667 0.333333 0.500000 Zr\n0.720482 0.720482 0.750000 Zr\n0.279518 0.000000 0.750000 Zr\n0.000000 0.279518 0.750000 Zr\n0.279518 0.279518 0.250000 Zr\n0.720482 0.000000 0.250000 Zr\n0.000000 0.720482 0.250000 Zr\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.377383 0.377383 0.750000 Pb\n0.622617 0.000000 0.750000 Pb\n0.000000 0.622617 0.750000 Pb\n0.622617 0.622617 0.250000 Pb\n0.377383 0.000000 0.250000 Pb\n0.000000 0.377383 0.250000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Ag",
"Pb"
],
"chemical_system": "Ag-Pb-Zr",
"density": 9.608371036805702,
"density_atomic": 0.043924751098359915,
"volume": 409.79173586420376,
"volume_molar": 13.710130642549862,
"formula_full": "Zr10 Ag2 Pb6",
"formula_reduced": "Zr5AgPb3",
"formula_anonymous": "AB3C5",
"energy": -117.85941433,
"energy_per_atom": -6.547745240555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -117.85941433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0060124,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.747000Z",
"spacegroup": 193
},
{
"id": "mp-1193978",
"created_at": "2022-09-04T14:40:30.824565Z",
"structure_string": "Cu4 Se4 O20\n1.0\n6.094361 0.000000 0.000000\n0.000000 7.287770 0.000000\n0.000000 0.000000 9.254197\nCu Se O\n4 4 20\ndirect\n0.281315 0.459353 0.101560 Cu\n0.718685 0.959353 0.398440 Cu\n0.781315 0.040647 0.898440 Cu\n0.218685 0.540647 0.601560 Cu\n0.447843 0.716324 0.862887 Se\n0.552157 0.216324 0.637113 Se\n0.947843 0.783676 0.137113 Se\n0.052157 0.283676 0.362887 Se\n0.009025 0.972327 0.025463 O\n0.990975 0.472327 0.474537 O\n0.509025 0.527673 0.974537 O\n0.490975 0.027673 0.525463 O\n0.724291 0.788096 0.867592 O\n0.275709 0.288096 0.632408 O\n0.224291 0.711904 0.132408 O\n0.775709 0.211904 0.367592 O\n0.018768 0.386953 0.191613 O\n0.981232 0.886953 0.308387 O\n0.518768 0.113047 0.808387 O\n0.481232 0.613047 0.691613 O\n0.837164 0.274292 0.942801 O\n0.162836 0.774292 0.557199 O\n0.337164 0.225708 0.057199 O\n0.662836 0.725708 0.442801 O\n0.076153 0.549099 0.802721 O\n0.923847 0.049099 0.697279 O\n0.576153 0.950901 0.197279 O\n0.423847 0.450901 0.302721 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Cu",
"Se",
"O"
],
"chemical_system": "Cu-O-Se",
"density": 3.5956994633839585,
"density_atomic": 0.06812342222193155,
"volume": 411.01869352338156,
"volume_molar": 8.840044383532515,
"formula_full": "Cu4 Se4 O20",
"formula_reduced": "CuSeO5",
"formula_anonymous": "ABC5",
"energy": -140.43304396,
"energy_per_atom": -5.015465855714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.69304396,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.3833373,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.633000Z",
"spacegroup": 19
}
]
}