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=12158",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12156",
"results": [
{
"id": "mp-94",
"created_at": "2022-09-04T14:44:22.695964Z",
"structure_string": "Cd2\n1.0\n1.503923 -2.604871 0.000000\n1.503923 2.604871 0.000000\n0.000000 0.000000 5.941963\nCd\n2\ndirect\n0.333333 0.666667 0.250000 Cd\n0.666667 0.333333 0.750000 Cd\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cd"
],
"chemical_system": "Cd",
"density": 8.018924852597033,
"density_atomic": 0.04295940274785382,
"volume": 46.55558206287951,
"volume_molar": 14.01821341731958,
"formula_full": "Cd2",
"formula_reduced": "Cd",
"formula_anonymous": "A",
"energy": -1.8185637,
"energy_per_atom": -0.90928185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.8185637,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000265,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.181000Z",
"spacegroup": 194
},
{
"id": "mp-88",
"created_at": "2022-09-04T14:44:22.018299Z",
"structure_string": "Dy2\n1.0\n1.813352 -3.140817 0.000000\n1.813352 3.140817 0.000000\n0.000000 0.000000 5.616372\nDy\n2\ndirect\n0.333333 0.666667 0.250000 Dy\n0.666667 0.333333 0.750000 Dy\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Dy"
],
"chemical_system": "Dy",
"density": 8.435714028256431,
"density_atomic": 0.03126218911189083,
"volume": 63.975046432026204,
"volume_molar": 19.263336737059877,
"formula_full": "Dy2",
"formula_reduced": "Dy",
"formula_anonymous": "A",
"energy": -9.17815006,
"energy_per_atom": -4.58907503,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.17815006,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1674133,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.931000Z",
"spacegroup": 194
},
{
"id": "mp-126",
"created_at": "2022-09-04T14:44:21.944044Z",
"structure_string": "Pt1\n1.0\n0.000000 1.988385 1.988385\n1.988385 0.000000 1.988385\n1.988385 1.988385 0.000000\nPt\n1\ndirect\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pt"
],
"chemical_system": "Pt",
"density": 20.603420149296728,
"density_atomic": 0.06360167738992607,
"volume": 15.722855764781936,
"volume_molar": 9.468525056469428,
"formula_full": "Pt1",
"formula_reduced": "Pt",
"formula_anonymous": "A",
"energy": -6.07090771,
"energy_per_atom": -6.07090771,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.07090771,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0514353,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.792000Z",
"spacegroup": 225
},
{
"id": "mp-1076920",
"created_at": "2022-09-04T14:44:23.994667Z",
"structure_string": "U1\n1.0\n1.433069 -2.482148 0.000000\n1.433069 2.482148 0.000000\n0.000000 0.000000 2.832045\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n",
"nsites": 1,
"nelements": 1,
"elements": [
"U"
],
"chemical_system": "U",
"density": 19.617961832382314,
"density_atomic": 0.04963352040713929,
"volume": 20.147674228970466,
"volume_molar": 12.13321301934846,
"formula_full": "U1",
"formula_reduced": "U",
"formula_anonymous": "A",
"energy": -10.90615872,
"energy_per_atom": -10.90615872,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90615872,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.155000Z",
"spacegroup": 191
},
{
"id": "mp-114",
"created_at": "2022-09-04T14:44:17.216199Z",
"structure_string": "Pu1\n1.0\n0.000000 2.394238 2.394238\n2.394238 0.000000 2.394238\n2.394238 2.394238 0.000000\nPu\n1\ndirect\n0.000000 0.000000 0.000000 Pu\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Pu"
],
"chemical_system": "Pu",
"density": 14.76070055473347,
"density_atomic": 0.036430744462104044,
"volume": 27.449342986669382,
"volume_molar": 16.530380723524182,
"formula_full": "Pu1",
"formula_reduced": "Pu",
"formula_anonymous": "A",
"energy": -13.99062127,
"energy_per_atom": -13.99062127,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.99062127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.7357689,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:31.375000Z",
"spacegroup": 225
},
{
"id": "mp-666931",
"created_at": "2022-09-04T14:44:16.167184Z",
"structure_string": "S32\n1.0\n0.000000 7.386536 12.734745\n6.162454 0.000000 12.734745\n6.162454 7.386536 0.000000\nS\n32\ndirect\n0.867606 0.043695 0.746621 S\n0.851359 0.737775 0.041775 S\n0.746100 0.842553 0.867043 S\n0.040267 0.872288 0.850387 S\n0.128649 0.959381 0.262984 S\n0.157312 0.254180 0.962311 S\n0.260536 0.147666 0.130503 S\n0.954825 0.133747 0.152578 S\n0.769358 0.238868 0.794541 S\n0.692034 0.797618 0.240151 S\n0.793496 0.695510 0.762614 S\n0.247137 0.762957 0.697399 S\n0.230058 0.756224 0.203718 S\n0.301909 0.209130 0.752806 S\n0.209141 0.302274 0.236135 S\n0.752204 0.233088 0.305719 S\n0.862926 0.294980 0.617259 S\n0.730953 0.617464 0.293588 S\n0.623389 0.721029 0.860793 S\n0.294175 0.856596 0.726257 S\n0.146087 0.698610 0.378903 S\n0.276272 0.375432 0.705321 S\n0.378425 0.272405 0.145097 S\n0.706005 0.136555 0.273999 S\n0.028931 0.229169 0.671258 S\n0.573878 0.672984 0.227245 S\n0.670280 0.575940 0.026431 S\n0.231063 0.020995 0.573527 S\n0.971094 0.771097 0.328234 S\n0.422847 0.330484 0.768297 S\n0.326313 0.425957 0.980072 S\n0.771945 0.975415 0.426861 S\n",
"nsites": 32,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.469655559945604,
"density_atomic": 0.02760166116877462,
"volume": 1159.350511707649,
"volume_molar": 21.81803741150466,
"formula_full": "S32",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -131.70315189,
"energy_per_atom": -4.1157234965625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.70315189,
"band_gap": 2.6034,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:28.980000Z",
"spacegroup": 5
},
{
"id": "mp-1063988",
"created_at": "2022-09-04T14:40:05.531640Z",
"structure_string": "S1\n1.0\n-1.580627 1.580627 1.580627\n1.580627 -1.580627 1.580627\n1.580627 1.580627 -1.580627\nS\n1\ndirect\n0.000000 0.000000 0.000000 S\n",
"nsites": 1,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 3.3707936084368693,
"density_atomic": 0.06330701259918974,
"volume": 15.796038368311807,
"volume_molar": 9.512596650433442,
"formula_full": "S1",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -2.99896608,
"energy_per_atom": -2.99896608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.99896608,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038525,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.605000Z",
"spacegroup": 229
},
{
"id": "mp-1096840",
"created_at": "2022-09-04T14:40:04.554466Z",
"structure_string": "Ba2\n1.0\n2.454345 -3.632532 0.000000\n2.454345 3.632532 0.000000\n0.000000 0.000000 7.278134\nBa\n2\ndirect\n0.255870 0.255870 0.250000 Ba\n0.744130 0.744130 0.750000 Ba\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ba"
],
"chemical_system": "Ba",
"density": 3.514308831818658,
"density_atomic": 0.015411144543051867,
"volume": 129.77621450586565,
"volume_molar": 39.07653155271384,
"formula_full": "Ba2",
"formula_reduced": "Ba",
"formula_anonymous": "A",
"energy": -3.83779937,
"energy_per_atom": -1.918899685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.83779937,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.030000Z",
"spacegroup": 63
},
{
"id": "mp-1245320",
"created_at": "2022-09-04T14:40:03.821186Z",
"structure_string": "Ti100\n1.0\n11.841932 0.065058 0.087674\n0.059780 12.366594 -0.075703\n0.095018 -0.083665 11.978790\nTi\n100\ndirect\n0.968692 0.918557 0.834264 Ti\n0.637536 0.862799 0.236097 Ti\n0.417074 0.561989 0.429323 Ti\n0.125084 0.291181 0.388425 Ti\n0.545101 0.368721 0.515056 Ti\n0.475967 0.714488 0.254041 Ti\n0.130266 0.753435 0.849028 Ti\n0.144659 0.555756 0.735097 Ti\n0.265625 0.373403 0.848229 Ti\n0.008638 0.919218 0.228231 Ti\n0.126854 0.836411 0.066910 Ti\n0.840561 0.533083 0.308318 Ti\n0.910248 0.852025 0.521552 Ti\n0.637886 0.566363 0.405780 Ti\n0.113637 0.957422 0.426365 Ti\n0.729106 0.187370 0.449420 Ti\n0.062217 0.129899 0.253610 Ti\n0.419785 0.368331 0.020515 Ti\n0.569361 0.447641 0.839859 Ti\n0.935146 0.096005 0.447087 Ti\n0.710960 0.355235 0.265314 Ti\n0.730682 0.627619 0.898057 Ti\n0.630411 0.040596 0.757866 Ti\n0.158070 0.203557 0.990142 Ti\n0.995730 0.045742 0.035209 Ti\n0.715774 0.756133 0.646097 Ti\n0.616619 0.087994 0.271102 Ti\n0.482692 0.952003 0.380686 Ti\n0.470367 0.287021 0.726072 Ti\n0.330286 0.674793 0.642457 Ti\n0.182565 0.578528 0.967962 Ti\n0.883099 0.638279 0.511943 Ti\n0.667645 0.451274 0.043213 Ti\n0.608086 0.250092 0.112212 Ti\n0.363707 0.464686 0.633162 Ti\n0.062979 0.395174 0.991818 Ti\n0.486286 0.472455 0.221398 Ti\n0.505644 0.748118 0.488396 Ti\n0.511340 0.886040 0.652466 Ti\n0.312873 0.987329 0.538585 Ti\n0.674241 0.625298 0.180149 Ti\n0.130267 0.144669 0.551644 Ti\n0.827023 0.134634 0.212248 Ti\n0.721379 0.765883 0.416553 Ti\n0.462974 0.937412 0.901992 Ti\n0.611853 0.788573 0.027972 Ti\n0.857162 0.024273 0.658794 Ti\n0.431668 0.902763 0.127452 Ti\n0.380275 0.163693 0.926096 Ti\n0.569746 0.567375 0.630457 Ti\n0.919074 0.710156 0.744392 Ti\n0.799230 0.100046 0.890014 Ti\n0.306614 0.396708 0.378660 Ti\n0.210555 0.986813 0.900652 Ti\n0.629779 0.027216 0.033466 Ti\n0.865625 0.738751 0.232580 Ti\n0.031517 0.342141 0.191023 Ti\n0.905966 0.304945 0.368428 Ti\n0.607934 0.223665 0.894290 Ti\n0.267521 0.879015 0.276460 Ti\n0.106823 0.963006 0.663569 Ti\n0.531720 0.723434 0.809808 Ti\n0.983950 0.475474 0.575133 Ti\n0.732641 0.863838 0.858168 Ti\n0.277533 0.776475 0.456712 Ti\n0.856581 0.266390 0.055001 Ti\n0.169721 0.362646 0.603944 Ti\n0.327434 0.758827 0.987611 Ti\n0.308363 0.108576 0.340459 Ti\n0.275003 0.263678 0.186657 Ti\n0.950583 0.547862 0.881253 Ti\n0.367186 0.573635 0.841189 Ti\n0.767802 0.413902 0.503571 Ti\n0.404676 0.069959 0.721985 Ti\n0.470505 0.591071 0.039632 Ti\n0.682769 0.967550 0.519102 Ti\n0.188581 0.573776 0.498051 Ti\n0.812036 0.357496 0.874939 Ti\n0.059359 0.635642 0.146141 Ti\n0.312183 0.856471 0.751313 Ti\n0.096747 0.743358 0.605899 Ti\n0.219624 0.029986 0.119010 Ti\n0.812368 0.911412 0.085275 Ti\n0.813912 0.953660 0.336003 Ti\n0.062784 0.511445 0.336337 Ti\n0.207355 0.175160 0.757786 Ti\n0.344060 0.230906 0.544348 Ti\n0.266155 0.653471 0.247423 Ti\n0.060984 0.740786 0.364298 Ti\n0.029063 0.357727 0.774861 Ti\n0.433981 0.116792 0.139788 Ti\n0.531025 0.136393 0.533693 Ti\n0.790747 0.498740 0.709044 Ti\n0.923289 0.747837 0.982549 Ti\n0.239493 0.464825 0.151960 Ti\n0.887090 0.500997 0.091994 Ti\n0.931113 0.264652 0.596926 Ti\n0.724298 0.235958 0.691443 Ti\n0.486554 0.262246 0.321184 Ti\n0.985100 0.142422 0.799048 Ti\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.531641287765111,
"density_atomic": 0.05701251742992054,
"volume": 1754.000779266052,
"volume_molar": 10.562839585889853,
"formula_full": "Ti100",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy": -774.03900131,
"energy_per_atom": -7.7403900131,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -774.03900131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0153928,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.656000Z",
"spacegroup": 1
},
{
"id": "mp-557376",
"created_at": "2022-09-04T14:39:59.632023Z",
"structure_string": "S20\n1.0\n5.462082 6.650226 0.000000\n-5.462082 6.650226 0.000000\n0.000000 2.516740 8.833621\nS\n20\ndirect\n0.073095 0.247016 0.146175 S\n0.398123 0.999760 0.802877 S\n0.601877 0.000240 0.197123 S\n0.926905 0.752984 0.853825 S\n0.232759 0.610465 0.583195 S\n0.381147 0.473862 0.731753 S\n0.247016 0.073095 0.646175 S\n0.872353 0.983220 0.730724 S\n0.000240 0.601877 0.697123 S\n0.752984 0.926905 0.353825 S\n0.016780 0.127647 0.769276 S\n0.473862 0.381147 0.231753 S\n0.610465 0.232759 0.083195 S\n0.127647 0.016780 0.269276 S\n0.767241 0.389535 0.416805 S\n0.983220 0.872353 0.230724 S\n0.999760 0.398123 0.302877 S\n0.526138 0.618853 0.768247 S\n0.618853 0.526138 0.268247 S\n0.389535 0.767241 0.916805 S\n",
"nsites": 20,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6593842329137614,
"density_atomic": 0.031164963134210757,
"volume": 641.7463070266036,
"volume_molar": 19.323432965621922,
"formula_full": "S20",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -82.09326987,
"energy_per_atom": -4.1046634935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.09326987,
"band_gap": 2.1627,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006888,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.703000Z",
"spacegroup": 15
},
{
"id": "mp-11832",
"created_at": "2022-09-04T14:39:58.717468Z",
"structure_string": "Cs2\n1.0\n2.756158 -4.773806 0.000000\n2.756158 4.773806 0.000000\n0.000000 0.000000 8.894133\nCs\n2\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Cs"
],
"chemical_system": "Cs",
"density": 1.8859032028740623,
"density_atomic": 0.008545303739618251,
"volume": 234.04668352834315,
"volume_molar": 70.47310363094279,
"formula_full": "Cs2",
"formula_reduced": "Cs",
"formula_anonymous": "A",
"energy": -1.72060413,
"energy_per_atom": -0.860302065,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.72060413,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043188,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.956000Z",
"spacegroup": 194
},
{
"id": "mp-567597",
"created_at": "2022-09-04T14:39:58.656232Z",
"structure_string": "Bi1\n1.0\n3.277897 0.000000 0.000000\n0.000000 3.277897 0.000000\n0.000000 0.000000 3.277897\nBi\n1\ndirect\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Bi"
],
"chemical_system": "Bi",
"density": 9.853005953205109,
"density_atomic": 0.028393183657330765,
"volume": 35.21972076357181,
"volume_molar": 21.20981159661241,
"formula_full": "Bi1",
"formula_reduced": "Bi",
"formula_anonymous": "A",
"energy": -3.84048913,
"energy_per_atom": -3.84048913,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.84048913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000492,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.383000Z",
"spacegroup": 221
}
]
}