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=12161",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12159",
"results": [
{
"id": "mp-568348",
"created_at": "2022-09-04T14:43:05.516216Z",
"structure_string": "P84\n1.0\n9.260506 0.000000 0.000000\n0.000000 9.290484 0.000000\n0.000000 5.950707 23.366553\nP\n84\ndirect\n0.392435 0.044641 0.419902 P\n0.406288 0.251112 0.449492 P\n0.798587 0.297630 0.821487 P\n0.163196 0.998024 0.053026 P\n0.642474 0.482829 0.036716 P\n0.140312 0.791830 0.418910 P\n0.785103 0.075630 0.117705 P\n0.322549 0.788404 0.831157 P\n0.385897 0.855602 0.173614 P\n0.099939 0.140652 0.174799 P\n0.635538 0.687959 0.068136 P\n0.964657 0.827710 0.618809 P\n0.948287 0.045317 0.321522 P\n0.798587 0.702370 0.678513 P\n0.450749 0.562094 0.332123 P\n0.317364 0.052371 0.203643 P\n0.140312 0.208170 0.081090 P\n0.900061 0.859348 0.825201 P\n0.642474 0.517171 0.463284 P\n0.357526 0.482829 0.536716 P\n0.035343 0.172290 0.381191 P\n0.866829 0.539498 0.429935 P\n0.964657 0.172290 0.881191 P\n0.513296 0.313194 0.104244 P\n0.051713 0.045317 0.821522 P\n0.719600 0.422451 0.882584 P\n0.051713 0.954683 0.678478 P\n0.549251 0.562094 0.832123 P\n0.607565 0.955359 0.580098 P\n0.614103 0.855602 0.673614 P\n0.406288 0.748888 0.050508 P\n0.133171 0.539498 0.929935 P\n0.549251 0.437906 0.667877 P\n0.280400 0.422451 0.382584 P\n0.035343 0.827710 0.118809 P\n0.644763 0.584786 0.162581 P\n0.355237 0.415214 0.837419 P\n0.866829 0.460502 0.070065 P\n0.133171 0.460502 0.570065 P\n0.820704 0.590591 0.336043 P\n0.607565 0.044641 0.919902 P\n0.163196 0.001976 0.446974 P\n0.682636 0.947629 0.796357 P\n0.179296 0.590591 0.836043 P\n0.836804 0.998024 0.553026 P\n0.355237 0.584786 0.662581 P\n0.635538 0.312041 0.431864 P\n0.593712 0.251112 0.949492 P\n0.322549 0.211596 0.668843 P\n0.593712 0.748888 0.550508 P\n0.785103 0.924370 0.382295 P\n0.214897 0.924370 0.882295 P\n0.201413 0.297630 0.321487 P\n0.677451 0.211596 0.168843 P\n0.357526 0.517171 0.963284 P\n0.317364 0.947629 0.296357 P\n0.513296 0.686806 0.395756 P\n0.214897 0.075630 0.617705 P\n0.644763 0.415214 0.337419 P\n0.719600 0.577549 0.617416 P\n0.900061 0.140652 0.674799 P\n0.280400 0.577549 0.117416 P\n0.450749 0.437906 0.167877 P\n0.085117 0.755384 0.948705 P\n0.364462 0.687959 0.568136 P\n0.682636 0.052371 0.703643 P\n0.677451 0.788404 0.331157 P\n0.385897 0.144398 0.326386 P\n0.914883 0.755384 0.448705 P\n0.364462 0.312041 0.931864 P\n0.099939 0.859348 0.325201 P\n0.820704 0.409409 0.163957 P\n0.859688 0.208170 0.581090 P\n0.486704 0.313194 0.604244 P\n0.486704 0.686806 0.895756 P\n0.914883 0.244616 0.051295 P\n0.859688 0.791830 0.918910 P\n0.179296 0.409409 0.663957 P\n0.836804 0.001976 0.946974 P\n0.085117 0.244616 0.551295 P\n0.614103 0.144398 0.826386 P\n0.948287 0.954683 0.178478 P\n0.201413 0.702370 0.178513 P\n0.392435 0.955359 0.080098 P\n",
"nsites": 84,
"nelements": 1,
"elements": [
"P"
],
"chemical_system": "P",
"density": 2.1490901450835844,
"density_atomic": 0.0417841506113939,
"volume": 2010.3316394110088,
"volume_molar": 14.412500127160309,
"formula_full": "P84",
"formula_reduced": "P",
"formula_anonymous": "A",
"energy": -454.32817717,
"energy_per_atom": -5.408668775833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -454.32817717,
"band_gap": 1.8454,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017309,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:58.644000Z",
"spacegroup": 13
},
{
"id": "mp-121",
"created_at": "2022-09-04T14:43:08.297363Z",
"structure_string": "Hg1\n1.0\n2.568470 -1.873816 0.000000\n2.568470 1.873816 0.000000\n1.201436 0.000000 2.943599\nHg\n1\ndirect\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Hg"
],
"chemical_system": "Hg",
"density": 11.755694544915189,
"density_atomic": 0.035293108981259515,
"volume": 28.334143090964176,
"volume_molar": 17.063219800776775,
"formula_full": "Hg1",
"formula_reduced": "Hg",
"formula_anonymous": "A",
"energy": -0.27636913,
"energy_per_atom": -0.27636913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -0.27636913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.66e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.748000Z",
"spacegroup": 166
},
{
"id": "mp-988210",
"created_at": "2022-09-04T14:43:05.256663Z",
"structure_string": "Si8\n1.0\n-3.974623 0.000000 0.000000\n1.976217 5.084593 0.000000\n-0.110606 -2.650884 -8.615209\nSi\n8\ndirect\n0.094740 0.909988 0.917667 Si\n0.000724 0.270713 0.940289 Si\n0.566595 0.244351 0.759282 Si\n0.125707 0.990164 0.371541 Si\n0.841008 0.871147 0.198355 Si\n0.286715 0.524582 0.317670 Si\n0.567874 0.643991 0.488678 Si\n0.509253 0.566510 0.999908 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 2.142906835476681,
"density_atomic": 0.04594857347480511,
"volume": 174.1076902939462,
"volume_molar": 13.106262729357873,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -27.72556029,
"energy_per_atom": -3.46569503625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.72556029,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.555000Z",
"spacegroup": 1
},
{
"id": "mp-1062055",
"created_at": "2022-09-04T14:43:05.784293Z",
"structure_string": "Br3\n1.0\n4.594252 0.000000 0.000000\n0.000000 4.594252 0.000000\n0.000000 0.000000 4.594252\nBr\n3\ndirect\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n0.000000 0.000000 0.500000 Br\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Br"
],
"chemical_system": "Br",
"density": 4.104822986646732,
"density_atomic": 0.030936901568147854,
"volume": 96.97157271524414,
"volume_molar": 19.465882020325854,
"formula_full": "Br3",
"formula_reduced": "Br",
"formula_anonymous": "A",
"energy": -3.11029283,
"energy_per_atom": -1.0367642766666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.11029283,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.63101,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:05.895000Z",
"spacegroup": 221
},
{
"id": "mp-1183144",
"created_at": "2022-09-04T14:42:52.372727Z",
"structure_string": "Al4\n1.0\n1.428573 -2.474362 0.000000\n1.428573 2.474362 0.000000\n0.000000 0.000000 9.296985\nAl\n4\ndirect\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.666667 0.333333 0.750000 Al\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Al"
],
"chemical_system": "Al",
"density": 2.726704024337018,
"density_atomic": 0.060858632617380067,
"volume": 65.7260905802487,
"volume_molar": 9.895294226969193,
"formula_full": "Al4",
"formula_reduced": "Al",
"formula_anonymous": "A",
"energy": -14.93651943,
"energy_per_atom": -3.7341298575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.93651943,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.21e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.115000Z",
"spacegroup": 194
},
{
"id": "mp-582819",
"created_at": "2022-09-04T14:42:58.453356Z",
"structure_string": "Pu8\n1.0\n3.059625 -5.299425 0.000000\n3.059625 5.299425 0.000000\n0.000000 0.000000 5.182756\nPu\n8\ndirect\n0.737358 0.657256 0.750000 Pu\n0.342744 0.080103 0.750000 Pu\n0.080103 0.737358 0.250000 Pu\n0.657256 0.919897 0.250000 Pu\n0.919897 0.262642 0.750000 Pu\n0.666667 0.333333 0.250000 Pu\n0.262642 0.342744 0.250000 Pu\n0.333333 0.666667 0.750000 Pu\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 19.285957305362466,
"density_atomic": 0.04759948755097521,
"volume": 168.06903627759954,
"volume_molar": 12.651692423265635,
"formula_full": "Pu8",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -113.28428353,
"energy_per_atom": -14.16053544125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.28428353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.1501701,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:07.908000Z",
"spacegroup": 176
},
{
"id": "mp-1199894",
"created_at": "2022-09-04T14:42:58.558112Z",
"structure_string": "Si82\n1.0\n7.610454 12.741852 0.000000\n-7.610454 12.741852 0.000000\n0.000000 0.713534 9.876413\nSi\n82\ndirect\n0.454961 0.653551 0.100932 Si\n0.346449 0.545039 0.399068 Si\n0.545039 0.346449 0.899068 Si\n0.653551 0.454961 0.600932 Si\n0.599192 0.678725 0.106205 Si\n0.321275 0.400808 0.393795 Si\n0.400808 0.321275 0.893795 Si\n0.678725 0.599192 0.606205 Si\n0.724024 0.543009 0.233387 Si\n0.456991 0.275976 0.266613 Si\n0.275976 0.456991 0.766613 Si\n0.543009 0.724024 0.733387 Si\n0.884316 0.453219 0.119279 Si\n0.546781 0.115684 0.380721 Si\n0.115684 0.546781 0.880721 Si\n0.453219 0.884316 0.619279 Si\n0.554923 0.343050 0.140616 Si\n0.656950 0.445077 0.359384 Si\n0.445077 0.656950 0.859384 Si\n0.343050 0.554923 0.640616 Si\n0.955027 0.176265 0.992634 Si\n0.823735 0.044973 0.507366 Si\n0.044973 0.823735 0.007366 Si\n0.176265 0.955027 0.492634 Si\n0.930088 0.281174 0.177953 Si\n0.718826 0.069912 0.322047 Si\n0.069912 0.718826 0.822047 Si\n0.281174 0.930088 0.677953 Si\n0.823390 0.127038 0.995518 Si\n0.872962 0.176610 0.504482 Si\n0.176610 0.872962 0.004482 Si\n0.127038 0.823390 0.495518 Si\n0.794108 0.279775 0.312602 Si\n0.720225 0.205892 0.187398 Si\n0.205892 0.720225 0.687398 Si\n0.279775 0.794108 0.812602 Si\n0.351141 0.115820 0.096274 Si\n0.884180 0.648859 0.403726 Si\n0.648859 0.884180 0.903726 Si\n0.115820 0.351141 0.596274 Si\n0.347646 0.274944 0.103812 Si\n0.725056 0.652354 0.396188 Si\n0.652354 0.725056 0.896188 Si\n0.274944 0.347646 0.603812 Si\n0.601176 0.786724 0.266589 Si\n0.213276 0.398824 0.233411 Si\n0.398824 0.213276 0.733411 Si\n0.786724 0.601176 0.766589 Si\n0.450216 0.902851 0.378354 Si\n0.097149 0.549784 0.121646 Si\n0.549784 0.097149 0.621646 Si\n0.902851 0.450216 0.878354 Si\n0.486877 0.024666 0.253012 Si\n0.975334 0.513123 0.246988 Si\n0.513123 0.975334 0.746988 Si\n0.024666 0.486877 0.753012 Si\n0.640293 0.905619 0.142020 Si\n0.094381 0.359707 0.357980 Si\n0.359707 0.094381 0.857980 Si\n0.905619 0.640293 0.642020 Si\n0.292758 0.788112 0.182290 Si\n0.211888 0.707242 0.317710 Si\n0.707242 0.211888 0.817710 Si\n0.788112 0.292758 0.682290 Si\n0.291749 0.924626 0.303470 Si\n0.075374 0.708251 0.196530 Si\n0.708251 0.075374 0.696530 Si\n0.924626 0.291749 0.803470 Si\n0.131842 0.050744 0.997088 Si\n0.949256 0.868158 0.502912 Si\n0.868158 0.949256 0.002912 Si\n0.050744 0.131842 0.497088 Si\n0.214640 0.082396 0.174492 Si\n0.917604 0.785360 0.325508 Si\n0.785360 0.917604 0.825508 Si\n0.082396 0.214640 0.674492 Si\n0.080666 0.213616 0.301069 Si\n0.786384 0.919334 0.198931 Si\n0.919334 0.786384 0.698931 Si\n0.213616 0.080666 0.801069 Si\n0.498051 0.501949 0.250000 Si\n0.501949 0.498051 0.750000 Si\n",
"nsites": 82,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 1.996515793539283,
"density_atomic": 0.04280963181147445,
"volume": 1915.4567916190576,
"volume_molar": 14.067256608326772,
"formula_full": "Si82",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -434.30838375,
"energy_per_atom": -5.296443704268293,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -434.30838375,
"band_gap": 0.9985,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:01.375000Z",
"spacegroup": 15
},
{
"id": "mp-569688",
"created_at": "2022-09-04T14:42:53.205346Z",
"structure_string": "Rb26\n1.0\n5.816474 -8.281877 0.000000\n5.816474 8.281877 0.000000\n0.000000 0.000000 25.505855\nRb\n26\ndirect\n0.412627 0.600965 0.927459 Rb\n0.600965 0.412627 0.072541 Rb\n0.175394 0.960455 0.393396 Rb\n0.089770 0.910230 0.750000 Rb\n0.429080 0.142106 0.232765 Rb\n0.824606 0.039545 0.893396 Rb\n0.039545 0.824606 0.106604 Rb\n0.706670 0.972475 0.456131 Rb\n0.972475 0.706670 0.543869 Rb\n0.027525 0.293330 0.043869 Rb\n0.857894 0.570920 0.267235 Rb\n0.399035 0.587373 0.572541 Rb\n0.417595 0.093377 0.588785 Rb\n0.484459 0.740157 0.316926 Rb\n0.570920 0.857894 0.732765 Rb\n0.515541 0.259843 0.816926 Rb\n0.259843 0.515541 0.183074 Rb\n0.093377 0.417595 0.411215 Rb\n0.910230 0.089770 0.250000 Rb\n0.587373 0.399035 0.427459 Rb\n0.142106 0.429080 0.767235 Rb\n0.960455 0.175394 0.606604 Rb\n0.740157 0.484459 0.683074 Rb\n0.582405 0.906623 0.088785 Rb\n0.293330 0.027525 0.956131 Rb\n0.906623 0.582405 0.911215 Rb\n",
"nsites": 26,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.5016423955084406,
"density_atomic": 0.010580712127913113,
"volume": 2457.3015205100482,
"volume_molar": 56.91621402412899,
"formula_full": "Rb26",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -23.88002147,
"energy_per_atom": -0.9184623642307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.88002147,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1366515,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:57.216000Z",
"spacegroup": 20
},
{
"id": "mp-1186444",
"created_at": "2022-09-04T14:42:52.778092Z",
"structure_string": "Pb4\n1.0\n1.781954 -3.086435 0.000000\n1.781954 3.086435 0.000000\n0.000000 0.000000 11.601870\nPb\n4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.250000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.750000 Pb\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Pb"
],
"chemical_system": "Pb",
"density": 10.784182414263372,
"density_atomic": 0.03134356394915727,
"volume": 127.61790607119352,
"volume_molar": 19.21332484642965,
"formula_full": "Pb4",
"formula_reduced": "Pb",
"formula_anonymous": "A",
"energy": -14.78208135,
"energy_per_atom": -3.6955203375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.78208135,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.72e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.766000Z",
"spacegroup": 194
},
{
"id": "mp-1064244",
"created_at": "2022-09-04T14:42:57.492604Z",
"structure_string": "Sc4\n1.0\n5.422676 0.000000 0.000000\n0.000000 5.422676 0.000000\n0.000000 0.000000 3.435206\nSc\n4\ndirect\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.000000 0.532664 Sc\n0.000000 0.500000 0.467336 Sc\n",
"nsites": 4,
"nelements": 1,
"elements": [
"Sc"
],
"chemical_system": "Sc",
"density": 2.956077409580834,
"density_atomic": 0.039598605549596946,
"volume": 101.01365804384275,
"volume_molar": 15.207961685563184,
"formula_full": "Sc4",
"formula_reduced": "Sc",
"formula_anonymous": "A",
"energy": -24.87992786,
"energy_per_atom": -6.219981965,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.87992786,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0881651,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:03.099000Z",
"spacegroup": 129
},
{
"id": "mp-1080106",
"created_at": "2022-09-04T14:42:51.799059Z",
"structure_string": "Ge8\n1.0\n-3.523808 3.523808 3.523808\n3.523808 -3.523808 3.523808\n3.523808 3.523808 -3.523808\nGe\n8\ndirect\n0.500000 0.000000 0.798226 Ge\n0.798226 0.500000 0.000000 Ge\n0.000000 0.798226 0.500000 Ge\n0.701774 0.701774 0.701774 Ge\n0.500000 0.000000 0.201774 Ge\n0.201774 0.500000 0.000000 Ge\n0.000000 0.201774 0.500000 Ge\n0.298226 0.298226 0.298226 Ge\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.51338368875929,
"density_atomic": 0.04570811212702437,
"volume": 175.0236364557725,
"volume_molar": 13.17521218829662,
"formula_full": "Ge8",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -35.81940783,
"energy_per_atom": -4.47742597875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.81940783,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.930000Z",
"spacegroup": 206
},
{
"id": "mp-1010136",
"created_at": "2022-09-04T14:44:11.209318Z",
"structure_string": "Cu1\n1.0\n-1.468820 1.468820 1.376023\n1.468820 -1.468820 1.376023\n1.468820 1.468820 -1.376023\nCu\n1\ndirect\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Cu"
],
"chemical_system": "Cu",
"density": 8.886167119132644,
"density_atomic": 0.08421261641455588,
"volume": 11.874705270731301,
"volume_molar": 7.15111466238578,
"formula_full": "Cu1",
"formula_reduced": "Cu",
"formula_anonymous": "A",
"energy": -4.06349831,
"energy_per_atom": -4.06349831,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.06349831,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.242000Z",
"spacegroup": 139
}
]
}