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=-volume&page=11486",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-volume&page=11484",
"results": [
{
"id": "mp-684580",
"created_at": "2022-09-04T14:47:57.679058Z",
"structure_string": "Ag1 I1\n1.0\n-2.394580 2.394580 3.194773\n2.394580 -2.394580 3.194773\n2.394580 2.394580 -3.194773\nAg I\n1 1\ndirect\n0.250000 0.750000 0.500000 Ag\n0.000000 0.000000 0.000000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ag",
"I"
],
"chemical_system": "Ag-I",
"density": 5.320322248904008,
"density_atomic": 0.027294258298916935,
"volume": 73.27548446624623,
"volume_molar": 22.063764085646408,
"formula_full": "Ag1 I1",
"formula_reduced": "AgI",
"formula_anonymous": "AB",
"energy": -5.29475304,
"energy_per_atom": -2.64737652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.91575304,
"band_gap": 1.704,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001455,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.401000Z",
"spacegroup": 119
},
{
"id": "mp-977475",
"created_at": "2022-09-04T14:39:26.037789Z",
"structure_string": "Zr1 In1 Pd2\n1.0\n0.000000 3.321302 3.321302\n3.321302 0.000000 3.321302\n3.321302 3.321302 0.000000\nZr In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Pd"
],
"chemical_system": "In-Pd-Zr",
"density": 9.492611329225966,
"density_atomic": 0.05458896932723275,
"volume": 73.274876761678,
"volume_molar": 11.031790550761947,
"formula_full": "Zr1 In1 Pd2",
"formula_reduced": "ZrInPd2",
"formula_anonymous": "ABC2",
"energy": -24.43361351,
"energy_per_atom": -6.1084033775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.43361351,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.85e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.276000Z",
"spacegroup": 225
},
{
"id": "mp-697030",
"created_at": "2022-09-04T14:45:17.244517Z",
"structure_string": "Mg2 H6 Ru1\n1.0\n0.000000 3.321122 3.321122\n3.321122 0.000000 3.321122\n3.321122 3.321122 0.000000\nMg H Ru\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n0.746779 0.746779 0.253221 H\n0.253221 0.746779 0.253221 H\n0.746779 0.253221 0.253221 H\n0.253221 0.253221 0.746779 H\n0.746779 0.253221 0.746779 H\n0.253221 0.746779 0.746779 H\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"H",
"Ru"
],
"chemical_system": "H-Mg-Ru",
"density": 3.5296392104064847,
"density_atomic": 0.12284515290918073,
"volume": 73.26296387659421,
"volume_molar": 4.902220899551617,
"formula_full": "Mg2 H6 Ru1",
"formula_reduced": "Mg2H6Ru",
"formula_anonymous": "AB2C6",
"energy": -36.85165105,
"energy_per_atom": -4.094627894444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.77765105,
"band_gap": 3.0681000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.013000Z",
"spacegroup": 225
},
{
"id": "mp-865924",
"created_at": "2022-09-04T14:40:28.064647Z",
"structure_string": "Li1 Zr1 Au2\n1.0\n0.000000 3.321093 3.321093\n3.321093 0.000000 3.321093\n3.321093 3.321093 0.000000\nLi Zr Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Au"
],
"chemical_system": "Au-Li-Zr",
"density": 11.153924791886332,
"density_atomic": 0.05459927600571892,
"volume": 73.26104469921957,
"volume_molar": 11.029708085083803,
"formula_full": "Li1 Zr1 Au2",
"formula_reduced": "LiZrAu2",
"formula_anonymous": "ABC2",
"energy": -19.14777231,
"energy_per_atom": -4.7869430775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.14777231,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0044436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.026000Z",
"spacegroup": 225
},
{
"id": "mp-10142",
"created_at": "2022-09-04T14:48:07.099490Z",
"structure_string": "Ta3 B4\n1.0\n-1.572998 1.655081 7.034996\n1.572998 -1.655081 7.034996\n1.572998 1.655081 -7.034996\nTa B\n3 4\ndirect\n0.000000 0.500000 0.500000 Ta\n0.185262 0.185262 0.000000 Ta\n0.814738 0.814738 0.000000 Ta\n0.366523 0.366523 0.000000 B\n0.633477 0.633477 0.000000 B\n0.435759 0.935759 0.500000 B\n0.564241 0.064241 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ta",
"B"
],
"chemical_system": "B-Ta",
"density": 13.28435247984026,
"density_atomic": 0.09554913732132216,
"volume": 73.26073469883566,
"volume_molar": 6.3026636648200665,
"formula_full": "Ta3 B4",
"formula_reduced": "Ta3B4",
"formula_anonymous": "A3B4",
"energy": -67.70295838,
"energy_per_atom": -9.671851197142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.70295838,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006494,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:28.244000Z",
"spacegroup": 71
},
{
"id": "mp-998979",
"created_at": "2022-09-04T14:46:06.164597Z",
"structure_string": "Ti3 In1\n1.0\n0.000000 3.321058 3.321058\n3.321058 0.000000 3.321058\n3.321058 3.321058 0.000000\nTi In\n3 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 In\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"In"
],
"chemical_system": "In-Ti",
"density": 5.857525155916934,
"density_atomic": 0.05460100225813576,
"volume": 73.25872849529945,
"volume_molar": 11.029359372432909,
"formula_full": "Ti3 In1",
"formula_reduced": "Ti3In",
"formula_anonymous": "AB3",
"energy": -26.56500105,
"energy_per_atom": -6.6412502625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.56500105,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9832875,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.863000Z",
"spacegroup": 225
},
{
"id": "mp-961724",
"created_at": "2022-09-04T14:43:12.582909Z",
"structure_string": "Zr1 Bi1 Rh1\n1.0\n0.000000 3.320992 3.320992\n3.320992 0.000000 3.320992\n3.320992 3.320992 0.000000\nZr Bi Rh\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Zr\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Bi",
"Rh"
],
"chemical_system": "Bi-Rh-Zr",
"density": 9.13774591152589,
"density_atomic": 0.04095319325623622,
"volume": 73.25436092930725,
"volume_molar": 14.704935760004421,
"formula_full": "Zr1 Bi1 Rh1",
"formula_reduced": "ZrBiRh",
"formula_anonymous": "ABC",
"energy": -19.80810871,
"energy_per_atom": -6.602702903333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.80810871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.204000Z",
"spacegroup": 216
},
{
"id": "mp-637292",
"created_at": "2022-09-04T14:47:31.384846Z",
"structure_string": "Na1 Cr1 S2\n1.0\n1.788474 -3.097727 0.000000\n1.788474 3.097727 0.000000\n0.000000 0.000000 6.610871\nNa Cr S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.333333 0.666667 0.804371 S\n0.666667 0.333333 0.195629 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Cr",
"S"
],
"chemical_system": "Cr-Na-S",
"density": 3.1536342298622833,
"density_atomic": 0.05460665082320208,
"volume": 73.25115054117951,
"volume_molar": 11.028218484773328,
"formula_full": "Na1 Cr1 S2",
"formula_reduced": "NaCrS2",
"formula_anonymous": "ABC2",
"energy": -24.01708523,
"energy_per_atom": -6.0042713075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.01108523,
"band_gap": 1.0316999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0001517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.886000Z",
"spacegroup": 164
},
{
"id": "mp-1187874",
"created_at": "2022-09-04T14:40:25.196968Z",
"structure_string": "Y1 Zn1 Pd2\n1.0\n0.000000 3.320925 3.320925\n3.320925 0.000000 3.320925\n3.320925 3.320925 0.000000\nY Zn Pd\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Y\n0.750001 0.750001 0.750001 Zn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Zn",
"Pd"
],
"chemical_system": "Pd-Y-Zn",
"density": 8.323216060999233,
"density_atomic": 0.054607562681034186,
"volume": 73.2499273656329,
"volume_molar": 11.028034331390431,
"formula_full": "Y1 Zn1 Pd2",
"formula_reduced": "YZnPd2",
"formula_anonymous": "ABC2",
"energy": -20.98002605,
"energy_per_atom": -5.2450065125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.98002605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.015000Z",
"spacegroup": 225
},
{
"id": "mp-861896",
"created_at": "2022-09-04T14:46:52.259397Z",
"structure_string": "Li1 Hg2 Pd1\n1.0\n0.000000 3.320777 3.320777\n3.320777 0.000000 3.320777\n3.320777 3.320777 0.000000\nLi Hg Pd\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Hg",
"Pd"
],
"chemical_system": "Hg-Li-Pd",
"density": 11.665945703315169,
"density_atomic": 0.05461486423679312,
"volume": 73.24013445601989,
"volume_molar": 11.026559974386945,
"formula_full": "Li1 Hg2 Pd1",
"formula_reduced": "LiHg2Pd",
"formula_anonymous": "ABC2",
"energy": -8.96370996,
"energy_per_atom": -2.24092749,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.96370996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054772,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.725000Z",
"spacegroup": 225
},
{
"id": "mp-19872",
"created_at": "2022-09-04T14:40:54.940503Z",
"structure_string": "U1 Al2 Cu1\n1.0\n0.000000 3.320734 3.320734\n3.320734 0.000000 3.320734\n3.320734 3.320734 0.000000\nU Al Cu\n1 2 1\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.500000 0.500000 0.500000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"U",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-U",
"density": 8.061258443403354,
"density_atomic": 0.054616985878790464,
"volume": 73.23728938241041,
"volume_molar": 11.026131638543225,
"formula_full": "U1 Al2 Cu1",
"formula_reduced": "UAl2Cu",
"formula_anonymous": "ABC2",
"energy": -21.80623915,
"energy_per_atom": -5.4515597875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.80623915,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3713063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.159000Z",
"spacegroup": 225
},
{
"id": "mp-1247213",
"created_at": "2022-09-04T14:40:43.153583Z",
"structure_string": "Co2 Ag2 N2\n1.0\n0.580067 0.000000 -2.730954\n0.000000 -5.093115 0.000000\n-5.318169 0.000000 0.254159\nCo Ag N\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.255671 0.750000 0.012378 Ag\n0.744329 0.250000 0.987622 Ag\n0.963156 0.250000 0.423849 N\n0.036844 0.750000 0.576151 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"Ag",
"N"
],
"chemical_system": "Ag-Co-N",
"density": 8.20102235956285,
"density_atomic": 0.08194496663812895,
"volume": 73.21987238699056,
"volume_molar": 7.349006299061573,
"formula_full": "Co2 Ag2 N2",
"formula_reduced": "CoAgN",
"formula_anonymous": "ABC",
"energy": -34.914812680000004,
"energy_per_atom": -5.819135446666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.19281268,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1026575,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.684000Z",
"spacegroup": 63
}
]
}