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=12185",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=12183",
"results": [
{
"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-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-1179641",
"created_at": "2022-09-04T14:40:20.237904Z",
"structure_string": "S4\n1.0\n5.891077 -1.185119 -0.003537\n-1.264447 5.901926 -0.003490\n-0.000217 0.004001 3.772683\nS\n4\ndirect\n0.332491 0.975856 0.749642 S\n0.667191 0.023684 0.749772 S\n0.021010 0.666242 0.250100 S\n0.979309 0.334218 0.250485 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.6968151577302757,
"density_atomic": 0.03186795486382225,
"volume": 125.51793854022799,
"volume_molar": 18.897167344857046,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.1680996,
"energy_per_atom": -3.7920249,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.1680996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005861,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.551000Z",
"spacegroup": 66
},
{
"id": "mp-1179639",
"created_at": "2022-09-04T14:40:03.122087Z",
"structure_string": "S4\n1.0\n6.218004 -0.179953 0.000614\n-0.182999 6.262033 0.008871\n0.003813 0.010026 3.060894\nS\n4\ndirect\n0.347719 0.000985 0.750256 S\n0.652354 0.998876 0.749656 S\n0.005892 0.652013 0.248944 S\n0.994036 0.348126 0.251143 S\n",
"nsites": 4,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.7885259679916965,
"density_atomic": 0.03359037934159799,
"volume": 119.08171561035157,
"volume_molar": 17.928171333695662,
"formula_full": "S4",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -15.12564205,
"energy_per_atom": -3.7814105125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.12564205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5543985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.737000Z",
"spacegroup": 66
},
{
"id": "mp-1183455",
"created_at": "2022-09-04T14:40:00.770332Z",
"structure_string": "Ca1\n1.0\n-2.085022 2.085022 2.407126\n2.085022 -2.085022 2.407126\n2.085022 2.085022 -2.407126\nCa\n1\ndirect\n0.000000 0.000000 0.000000 Ca\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ca"
],
"chemical_system": "Ca",
"density": 1.5899191478350851,
"density_atomic": 0.023890206369057712,
"volume": 41.85815662501715,
"volume_molar": 25.207571114997982,
"formula_full": "Ca1",
"formula_reduced": "Ca",
"formula_anonymous": "A",
"energy": -1.9925282,
"energy_per_atom": -1.9925282,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.9925282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017857,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.655000Z",
"spacegroup": 139
},
{
"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-1186440",
"created_at": "2022-09-04T14:40:25.381913Z",
"structure_string": "Pm3\n1.0\n9.015905 -1.834278 0.000000\n9.015905 1.834278 0.000000\n8.642723 0.000000 3.155070\nPm\n3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.777226 0.777226 0.777226 Pm\n0.222774 0.222774 0.222774 Pm\n",
"nsites": 3,
"nelements": 1,
"elements": [
"Pm"
],
"chemical_system": "Pm",
"density": 6.921892901449633,
"density_atomic": 0.028748009236261935,
"volume": 104.35505204359973,
"volume_molar": 20.94802708078944,
"formula_full": "Pm3",
"formula_reduced": "Pm",
"formula_anonymous": "A",
"energy": -14.243748019999998,
"energy_per_atom": -4.747916006666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.243748019999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0403655,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.057000Z",
"spacegroup": 166
},
{
"id": "mp-639736",
"created_at": "2022-09-04T14:40:25.240816Z",
"structure_string": "Rb2\n1.0\n-2.378988 2.378988 8.488669\n2.378988 -2.378988 8.488669\n2.378988 2.378988 -8.488669\nRb\n2\ndirect\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Rb"
],
"chemical_system": "Rb",
"density": 1.4770579166337583,
"density_atomic": 0.010407487600844737,
"volume": 192.16933776002458,
"volume_molar": 57.86354008734256,
"formula_full": "Rb2",
"formula_reduced": "Rb",
"formula_anonymous": "A",
"energy": -1.82067884,
"energy_per_atom": -0.91033942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.82067884,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011829,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.355000Z",
"spacegroup": 141
},
{
"id": "mp-141",
"created_at": "2022-09-04T14:40:30.459575Z",
"structure_string": "Yb2\n1.0\n1.926436 -3.336685 0.000000\n1.926436 3.336685 0.000000\n0.000000 0.000000 6.377047\nYb\n2\ndirect\n0.333333 0.666667 0.250000 Yb\n0.666667 0.333333 0.750000 Yb\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.009809111947172,
"density_atomic": 0.024395548536445183,
"volume": 81.98216969838349,
"volume_molar": 24.685408286693605,
"formula_full": "Yb2",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy": -3.05186078,
"energy_per_atom": -1.52593039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -3.05186078,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001572,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.842000Z",
"spacegroup": 194
},
{
"id": "mp-32",
"created_at": "2022-09-04T14:40:25.796908Z",
"structure_string": "Ge2\n1.0\n0.000000 2.881431 2.881431\n2.881431 0.000000 2.881431\n2.881431 2.881431 0.000000\nGe\n2\ndirect\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Ge\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.041970034757574,
"density_atomic": 0.04179990813257869,
"volume": 47.84699510957077,
"volume_molar": 14.407066974643339,
"formula_full": "Ge2",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -9.24605571,
"energy_per_atom": -4.623027855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.24605571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002151,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.335000Z",
"spacegroup": 227
},
{
"id": "mp-1079649",
"created_at": "2022-09-04T14:40:25.206403Z",
"structure_string": "Si8\n1.0\n2.577344 -4.375222 0.000000\n2.577344 4.375222 0.000000\n0.000000 0.000000 5.183067\nSi\n8\ndirect\n0.344380 0.344380 0.825870 Si\n0.655620 0.655620 0.174130 Si\n0.155620 0.155620 0.325870 Si\n0.844380 0.844380 0.674130 Si\n0.705715 0.294285 0.500000 Si\n0.205715 0.794285 0.000000 Si\n0.294285 0.705715 0.500000 Si\n0.794285 0.205715 0.000000 Si\n",
"nsites": 8,
"nelements": 1,
"elements": [
"Si"
],
"chemical_system": "Si",
"density": 3.1917726110734614,
"density_atomic": 0.06843853214092535,
"volume": 116.89321424262552,
"volume_molar": 8.799342375724096,
"formula_full": "Si8",
"formula_reduced": "Si",
"formula_anonymous": "A",
"energy": -39.97924997,
"energy_per_atom": -4.99740624625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.97924997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.11e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.062000Z",
"spacegroup": 64
},
{
"id": "mp-1055994",
"created_at": "2022-09-04T14:40:27.916559Z",
"structure_string": "In1\n1.0\n-1.654892 1.654892 2.508362\n1.654892 -1.654892 2.508362\n1.654892 1.654892 -2.508362\nIn\n1\ndirect\n0.000000 0.000000 0.000000 In\n",
"nsites": 1,
"nelements": 1,
"elements": [
"In"
],
"chemical_system": "In",
"density": 6.938563351301882,
"density_atomic": 0.03639238202037771,
"volume": 27.478278268239098,
"volume_molar": 16.547805957378486,
"formula_full": "In1",
"formula_reduced": "In",
"formula_anonymous": "A",
"energy": -2.72188849,
"energy_per_atom": -2.72188849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2.72188849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.47e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.508000Z",
"spacegroup": 139
}
]
}