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=formula_anonymous&page=23",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_anonymous&page=21",
"results": [
{
"id": "mp-639747",
"created_at": "2022-09-04T14:40:57.181822Z",
"structure_string": "Ba1\n1.0\n3.953643 0.000000 0.000000\n0.000000 3.953643 0.000000\n0.000000 0.000000 3.953643\nBa\n1\ndirect\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.6898836803357216,
"density_atomic": 0.016181085233557612,
"volume": 61.800552037518536,
"volume_molar": 37.21716234156414,
"formula_full": "Ba1",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -1.6229062,
"energy_per_atom": -1.6229062,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.6229062,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028709,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.748000Z",
"spacegroup": 221
},
{
"id": "mp-1196985",
"created_at": "2022-09-04T14:39:35.769774Z",
"structure_string": "B48\n1.0\n7.292925 0.000000 0.000000\n0.000000 7.292925 0.000000\n0.000000 0.000000 7.292925\nB\n48\ndirect\n0.000011 0.859201 0.641296 B\n0.358704 0.000011 0.140799 B\n0.859201 0.358704 0.999989 B\n0.000011 0.140799 0.358704 B\n0.358704 0.999989 0.859201 B\n0.859201 0.641296 0.000011 B\n0.999989 0.859201 0.358704 B\n0.641296 0.000011 0.859201 B\n0.140799 0.358704 0.000011 B\n0.999989 0.140799 0.641296 B\n0.641296 0.999989 0.140799 B\n0.140799 0.641296 0.999989 B\n0.302145 0.500060 0.623780 B\n0.376220 0.302145 0.499940 B\n0.500060 0.376220 0.697855 B\n0.302145 0.499940 0.376220 B\n0.376220 0.697855 0.500060 B\n0.500060 0.623780 0.302145 B\n0.697855 0.500060 0.376220 B\n0.623780 0.302145 0.500060 B\n0.499940 0.376220 0.302145 B\n0.697855 0.499940 0.623780 B\n0.623780 0.697855 0.499940 B\n0.499940 0.623780 0.697855 B\n0.499865 0.218259 0.131228 B\n0.868772 0.499865 0.781741 B\n0.218259 0.868772 0.500135 B\n0.499865 0.781741 0.868772 B\n0.868772 0.500135 0.218259 B\n0.218259 0.131228 0.499865 B\n0.500135 0.218259 0.868772 B\n0.131228 0.499865 0.218259 B\n0.781741 0.868772 0.499865 B\n0.500135 0.781741 0.131228 B\n0.131228 0.500135 0.781741 B\n0.781741 0.131228 0.500135 B\n0.193840 0.999766 0.306496 B\n0.693504 0.193840 0.000234 B\n0.999766 0.693504 0.806160 B\n0.193840 0.000234 0.693504 B\n0.693504 0.806160 0.999766 B\n0.999766 0.306496 0.193840 B\n0.806160 0.999766 0.693504 B\n0.306496 0.193840 0.999766 B\n0.000234 0.693504 0.193840 B\n0.806160 0.000234 0.306496 B\n0.306496 0.806160 0.000234 B\n0.000234 0.306496 0.806160 B\n",
"nsites": 48,
"nelements": 1,
"elements": [
"B"
],
"chemical_system": "B",
"density": 2.221523748064862,
"density_atomic": 0.12374737505459849,
"volume": 387.887015614044,
"volume_molar": 4.8664795979251885,
"formula_full": "B48",
"formula_reduced": "B",
"formula_anonymous": "A",
"energy": -310.31119198,
"energy_per_atom": -6.464816499583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.31119198,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.7147173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.917000Z",
"spacegroup": 200
},
{
"id": "mp-1080711",
"created_at": "2022-09-04T14:39:32.791518Z",
"structure_string": "N10\n1.0\n-2.878553 2.878553 2.878553\n2.878553 -2.878553 2.878553\n2.878553 2.878553 -2.878553\nN\n10\ndirect\n0.000000 0.713409 0.713409 N\n0.286591 0.000000 0.286591 N\n0.286591 0.286591 0.000000 N\n0.000000 0.286591 0.286591 N\n0.713409 0.000000 0.713409 N\n0.713409 0.713409 0.000000 N\n0.271904 0.000000 0.000000 N\n0.000000 0.271904 0.000000 N\n0.000000 0.000000 0.271904 N\n0.728096 0.728096 0.728096 N\n",
"nsites": 10,
"nelements": 1,
"elements": [
"N"
],
"chemical_system": "N",
"density": 2.4378234073124623,
"density_atomic": 0.10481352289926871,
"volume": 95.40753638832008,
"volume_molar": 5.745576136952856,
"formula_full": "N10",
"formula_reduced": "N",
"formula_anonymous": "A",
"energy": -62.98561016,
"energy_per_atom": -6.298561016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.98561016,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4750054,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.754000Z",
"spacegroup": 217
},
{
"id": "mp-569794",
"created_at": "2022-09-04T14:40:08.941607Z",
"structure_string": "Ta30\n1.0\n10.249574 0.000000 0.000000\n0.000000 10.249574 0.000000\n0.000000 0.000000 5.344220\nTa\n30\ndirect\n0.965334 0.370954 0.000000 Ta\n0.261126 0.932835 0.500000 Ta\n0.318645 0.681355 0.750025 Ta\n0.129046 0.465334 0.500000 Ta\n0.870954 0.534666 0.500000 Ta\n0.895267 0.104733 0.000000 Ta\n0.818645 0.818645 0.749975 Ta\n0.181355 0.181355 0.250025 Ta\n0.738874 0.067165 0.500000 Ta\n0.932835 0.261126 0.500000 Ta\n0.395267 0.395267 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.534666 0.870954 0.500000 Ta\n0.567165 0.761126 0.000000 Ta\n0.034666 0.629046 0.000000 Ta\n0.604733 0.604733 0.500000 Ta\n0.318645 0.681355 0.249975 Ta\n0.681355 0.318645 0.249975 Ta\n0.000000 0.000000 0.500000 Ta\n0.818645 0.818645 0.250025 Ta\n0.681355 0.318645 0.750025 Ta\n0.432835 0.238874 0.000000 Ta\n0.181355 0.181355 0.749975 Ta\n0.761126 0.567165 0.000000 Ta\n0.370954 0.965334 0.000000 Ta\n0.067165 0.738874 0.500000 Ta\n0.629046 0.034666 0.000000 Ta\n0.465334 0.129046 0.500000 Ta\n0.238874 0.432835 0.000000 Ta\n0.104733 0.895267 0.000000 Ta\n",
"nsites": 30,
"nelements": 1,
"elements": [
"Ta"
],
"chemical_system": "Ta",
"density": 16.05565001820195,
"density_atomic": 0.05343493631222564,
"volume": 561.4304436465877,
"volume_molar": 11.270043861963329,
"formula_full": "Ta30",
"formula_reduced": "Ta",
"formula_anonymous": "A",
"energy": -355.52228672,
"energy_per_atom": -11.850742890666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.52228672,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005386,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:48.787000Z",
"spacegroup": 136
},
{
"id": "mp-1179655",
"created_at": "2022-09-04T14:47:19.449208Z",
"structure_string": "Sc6\n1.0\n5.000534 0.000000 0.000000\n-2.500267 5.364330 0.913025\n0.000000 2.837134 5.738392\nSc\n6\ndirect\n0.314098 0.333533 0.085680 Sc\n0.666211 0.000000 0.500000 Sc\n0.980566 0.666467 0.914320 Sc\n0.353004 0.333757 0.585608 Sc\n0.666874 0.000000 0.000000 Sc\n0.019247 0.666243 0.414392 Sc\n",
"nsites": 6,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 3.1771738168809556,
"density_atomic": 0.04256033767228584,
"volume": 140.97632509873247,
"volume_molar": 14.149654559534799,
"formula_full": "Sc6",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -37.59723033,
"energy_per_atom": -6.266205055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.59723033,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0628492,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.008000Z",
"spacegroup": 72
},
{
"id": "mp-134",
"created_at": "2022-09-04T14:47:09.666421Z",
"structure_string": "Al1\n1.0\n0.000000 2.019465 2.019465\n2.019465 0.000000 2.019465\n2.019465 2.019465 0.000000\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.7200495853324616,
"density_atomic": 0.060710108958398956,
"volume": 16.471721384740732,
"volume_molar": 9.919502473841082,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.74557583,
"energy_per_atom": -3.74557583,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.74557583,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004155,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.724000Z",
"spacegroup": 225
},
{
"id": "mp-1056957",
"created_at": "2022-09-04T14:47:19.270820Z",
"structure_string": "C2\n1.0\n1.130225 -1.148383 0.000000\n1.130225 1.148383 0.000000\n0.000000 0.000000 6.399035\nC\n2\ndirect\n0.668158 0.331842 0.750000 C\n0.331842 0.668158 0.250000 C\n",
"nsites": 2,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.401326795551059,
"density_atomic": 0.120402041334524,
"volume": 16.61101404786998,
"volume_molar": 5.001693238130519,
"formula_full": "C2",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -13.22094255,
"energy_per_atom": -6.610471275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.22094255,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039481,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.692000Z",
"spacegroup": 63
},
{
"id": "mp-1981700",
"created_at": "2022-09-04T14:48:23.743240Z",
"structure_string": "U8\n1.0\n0.000000 0.000000 -5.043143\n0.000000 -5.821972 0.000000\n-5.694018 2.910986 0.000000\nU\n8\ndirect\n0.000000 0.217589 0.000000 U\n0.000000 0.782411 0.000000 U\n0.500000 0.403367 0.247496 U\n0.500000 0.155872 0.752504 U\n0.500000 0.596633 0.752504 U\n0.500000 0.844128 0.247496 U\n0.000000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 U\n",
"nsites": 8,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 18.91378993596806,
"density_atomic": 0.04785196274638782,
"volume": 167.18227510122128,
"volume_molar": 12.584939915457474,
"formula_full": "U8",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -87.45485768,
"energy_per_atom": -10.93185721,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.45485768,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0039915,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:32.350000Z",
"spacegroup": 65
},
{
"id": "mp-998860",
"created_at": "2022-09-04T14:40:16.796831Z",
"structure_string": "Al1\n1.0\n-1.610250 1.610250 1.610250\n1.610250 -1.610250 1.610250\n1.610250 1.610250 -1.610250\nAl\n1\ndirect\n0.000000 0.000000 0.000000 Al\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.6827233788539964,
"density_atomic": 0.05987700721108859,
"volume": 16.7009015075625,
"volume_molar": 10.057517969743758,
"formula_full": "Al1",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -3.65313185,
"energy_per_atom": -3.65313185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.65313185,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002383,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.505000Z",
"spacegroup": 229
},
{
"id": "mp-56",
"created_at": "2022-09-04T14:47:09.513897Z",
"structure_string": "Ba2\n1.0\n2.239279 -3.878544 0.000000\n2.239279 3.878544 0.000000\n0.000000 0.000000 7.352020\nBa\n2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.571259596639392,
"density_atomic": 0.01566088823676005,
"volume": 127.70667728191151,
"volume_molar": 38.45337932917826,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.80600479,
"energy_per_atom": -1.903002395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.80600479,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0021444,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:53.281000Z",
"spacegroup": 194
},
{
"id": "mp-583072",
"created_at": "2022-09-04T14:46:16.866636Z",
"structure_string": "S104\n1.0\n13.618254 0.000000 0.000000\n0.000000 14.019281 0.000000\n0.000000 6.152229 18.093378\nS\n104\ndirect\n0.197681 0.353700 0.267784 S\n0.558122 0.599495 0.726255 S\n0.336928 0.291267 0.881541 S\n0.325754 0.959580 0.760294 S\n0.700334 0.224862 0.379864 S\n0.559143 0.736604 0.736972 S\n0.350375 0.792986 0.105675 S\n0.659391 0.920230 0.869998 S\n0.391607 0.756650 0.013243 S\n0.786919 0.465301 0.471358 S\n0.954908 0.620429 0.909695 S\n0.204791 0.465112 0.751142 S\n0.369547 0.905961 0.558857 S\n0.174246 0.959580 0.260294 S\n0.994583 0.667684 0.993391 S\n0.045092 0.379571 0.090305 S\n0.401268 0.074473 0.782216 S\n0.961956 0.725072 0.348977 S\n0.299666 0.775138 0.620136 S\n0.869547 0.094039 0.941143 S\n0.058122 0.400505 0.773745 S\n0.059143 0.263396 0.763028 S\n0.820671 0.002552 0.260120 S\n0.454908 0.379571 0.590305 S\n0.320671 0.997448 0.239880 S\n0.891607 0.243350 0.486757 S\n0.538044 0.725072 0.848977 S\n0.679329 0.002552 0.760120 S\n0.840609 0.920230 0.369998 S\n0.940857 0.736604 0.236972 S\n0.302319 0.353700 0.767784 S\n0.407315 0.894723 0.456780 S\n0.545092 0.620429 0.409695 S\n0.196760 0.683445 0.869966 S\n0.104682 0.057100 0.393608 S\n0.224407 0.547261 0.419440 S\n0.901268 0.925527 0.717784 S\n0.917058 0.396068 0.457466 S\n0.330870 0.231911 0.117845 S\n0.825754 0.040420 0.739706 S\n0.149625 0.792986 0.605675 S\n0.071267 0.656822 0.826154 S\n0.200334 0.775138 0.120136 S\n0.674246 0.040420 0.239706 S\n0.697681 0.646300 0.232216 S\n0.713081 0.465301 0.971358 S\n0.608393 0.243350 0.986757 S\n0.461956 0.274928 0.151023 S\n0.038044 0.274928 0.651023 S\n0.928733 0.343178 0.173846 S\n0.696760 0.316555 0.630034 S\n0.163072 0.291267 0.381541 S\n0.169130 0.231911 0.617845 S\n0.159391 0.079770 0.630002 S\n0.098732 0.074473 0.282216 S\n0.850375 0.207014 0.394325 S\n0.505417 0.667684 0.493391 S\n0.960120 0.822298 0.968403 S\n0.795209 0.534888 0.248858 S\n0.604682 0.942900 0.106392 S\n0.571267 0.343178 0.673846 S\n0.283230 0.147527 0.910668 S\n0.775593 0.452739 0.580560 S\n0.663072 0.708733 0.118459 S\n0.592685 0.105277 0.543220 S\n0.441878 0.400505 0.273745 S\n0.830870 0.768089 0.382155 S\n0.216770 0.147527 0.410668 S\n0.941878 0.599495 0.226255 S\n0.724407 0.452739 0.080560 S\n0.716770 0.852473 0.089332 S\n0.005417 0.332316 0.006609 S\n0.460120 0.177702 0.531597 S\n0.286919 0.534699 0.028642 S\n0.039880 0.177702 0.031597 S\n0.440857 0.263396 0.263028 S\n0.213081 0.534699 0.528642 S\n0.417058 0.603932 0.042534 S\n0.428733 0.656822 0.326154 S\n0.803240 0.316555 0.130034 S\n0.092685 0.894723 0.956780 S\n0.649625 0.207014 0.894325 S\n0.108393 0.756650 0.513243 S\n0.303240 0.683445 0.369966 S\n0.630453 0.094039 0.441143 S\n0.802319 0.646300 0.732216 S\n0.340609 0.079770 0.130002 S\n0.539880 0.822298 0.468403 S\n0.295209 0.465112 0.251142 S\n0.275593 0.547261 0.919440 S\n0.130453 0.905961 0.058857 S\n0.907315 0.105277 0.043220 S\n0.179329 0.997448 0.739880 S\n0.836928 0.708733 0.618459 S\n0.783230 0.852473 0.589332 S\n0.895318 0.942900 0.606392 S\n0.669130 0.768089 0.882155 S\n0.704791 0.534888 0.748858 S\n0.395318 0.057100 0.893608 S\n0.582942 0.396068 0.957466 S\n0.598732 0.925527 0.217784 S\n0.799666 0.224862 0.879864 S\n0.082942 0.603932 0.542534 S\n0.494583 0.332316 0.506609 S\n",
"nsites": 104,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6030492074431306,
"density_atomic": 0.030106932717184204,
"volume": 3454.353885098354,
"volume_molar": 20.002505125879953,
"formula_full": "S104",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -427.23962467,
"energy_per_atom": -4.108073314134615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -427.23962467,
"band_gap": 2.3108,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.848000Z",
"spacegroup": 14
},
{
"id": "mp-1065697",
"created_at": "2022-09-04T14:45:58.744371Z",
"structure_string": "O1\n1.0\n2.352226 0.000000 0.000000\n0.000000 2.352226 0.000000\n0.000000 0.000000 1.544743\nO\n1\ndirect\n0.000000 0.000000 0.000000 O\n",
"nsites": 1,
"nelements": 1,
"elements": [
"O"
],
"chemical_system": "O",
"density": 3.1084112044634713,
"density_atomic": 0.11699994887126487,
"volume": 8.547012282033565,
"volume_molar": 5.147131103985495,
"formula_full": "O1",
"formula_reduced": "O",
"formula_anonymous": "A",
"energy": -3.36863,
"energy_per_atom": -3.36863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.36863,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.712000Z",
"spacegroup": 123
}
]
}