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_reduced&page=50",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=48",
"results": [
{
"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-1215354",
"created_at": "2022-09-04T14:43:13.279011Z",
"structure_string": "Zr1 In1 Pd2\n1.0\n3.414389 0.000000 0.000000\n0.000000 3.414389 0.000000\n0.000000 0.000000 6.478659\nZr In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.265711 Pd\n0.500000 0.500000 0.734289 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Pd"
],
"chemical_system": "In-Pd-Zr",
"density": 9.209364810073097,
"density_atomic": 0.05296010925808861,
"volume": 75.52854508866179,
"volume_molar": 11.3710882480482,
"formula_full": "Zr1 In1 Pd2",
"formula_reduced": "ZrInPd2",
"formula_anonymous": "ABC2",
"energy": -24.08641157,
"energy_per_atom": -6.0216028925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.08641157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0047278,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.587000Z",
"spacegroup": 123
},
{
"id": "mp-637771",
"created_at": "2022-09-04T14:48:18.444127Z",
"structure_string": "Zr1 In1 Ni4\n1.0\n0.000000 3.434746 3.434746\n3.434746 0.000000 3.434746\n3.434746 3.434746 0.000000\nZr In Ni\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 In\n0.125112 0.624963 0.624963 Ni\n0.624963 0.624963 0.624963 Ni\n0.624963 0.125112 0.624963 Ni\n0.624963 0.624963 0.125112 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ni"
],
"chemical_system": "In-Ni-Zr",
"density": 9.032171553748142,
"density_atomic": 0.07403505023497754,
"volume": 81.04269506074199,
"volume_molar": 8.134175287092418,
"formula_full": "Zr1 In1 Ni4",
"formula_reduced": "ZrInNi4",
"formula_anonymous": "ABC4",
"energy": -36.62459871,
"energy_per_atom": -6.104099785,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.62459871,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1918955,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:52.883000Z",
"spacegroup": 216
},
{
"id": "mp-20744",
"created_at": "2022-09-04T14:48:09.918745Z",
"structure_string": "Zr1 In1 Ni2\n1.0\n0.000000 3.156798 3.156798\n3.156798 0.000000 3.156798\n3.156798 3.156798 0.000000\nZr In Ni\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ni"
],
"chemical_system": "In-Ni-Zr",
"density": 8.53605909314506,
"density_atomic": 0.06357547554498806,
"volume": 62.917342980304895,
"volume_molar": 9.47242739181485,
"formula_full": "Zr1 In1 Ni2",
"formula_reduced": "ZrInNi2",
"formula_anonymous": "ABC2",
"energy": -24.48252708,
"energy_per_atom": -6.12063177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.48252708,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033189,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:27.249000Z",
"spacegroup": 225
},
{
"id": "mp-1215292",
"created_at": "2022-09-04T14:39:26.951340Z",
"structure_string": "Zr1 In1 Ni2\n1.0\n3.256242 0.000000 0.000000\n0.000000 3.256242 0.000000\n0.000000 0.000000 6.166467\nZr In Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.268351 Ni\n0.500000 0.500000 0.731649 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ni"
],
"chemical_system": "In-Ni-Zr",
"density": 8.214062969551978,
"density_atomic": 0.061177289630657605,
"volume": 65.38374001445614,
"volume_molar": 9.843752144557481,
"formula_full": "Zr1 In1 Ni2",
"formula_reduced": "ZrInNi2",
"formula_anonymous": "ABC2",
"energy": -24.0450655,
"energy_per_atom": -6.011266375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.0450655,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007868,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.623000Z",
"spacegroup": 123
},
{
"id": "mp-1246102",
"created_at": "2022-09-04T14:40:53.138039Z",
"structure_string": "Zr2 In2 N4\n1.0\n3.913670 0.000000 0.000000\n0.000000 3.913670 0.000000\n0.000000 0.000000 8.330794\nZr In N\n2 2 4\ndirect\n0.750000 0.750000 0.607589 Zr\n0.250000 0.250000 0.392411 Zr\n0.750000 0.750000 0.126272 In\n0.250000 0.250000 0.873728 In\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.861254 N\n0.250000 0.250000 0.138746 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Zr",
"In",
"N"
],
"chemical_system": "In-N-Zr",
"density": 6.091762406964211,
"density_atomic": 0.06269532889032699,
"volume": 127.60121274735491,
"volume_molar": 9.60540580389097,
"formula_full": "Zr2 In2 N4",
"formula_reduced": "ZrInN2",
"formula_anonymous": "ABC2",
"energy": -61.84709808,
"energy_per_atom": -7.73088726,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.40309808,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.13e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.818000Z",
"spacegroup": 129
},
{
"id": "mp-1215325",
"created_at": "2022-09-04T14:40:58.841863Z",
"structure_string": "Zr2 In2 Cu2 S8\n1.0\n-3.675684 3.738183 5.371190\n3.675684 -3.738183 5.371190\n3.675684 3.738183 -5.371190\nZr In Cu S\n2 2 2 8\ndirect\n0.000000 0.500000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.374159 0.124159 0.250000 Cu\n0.625841 0.875841 0.750000 Cu\n0.246281 0.754904 0.491377 S\n0.763527 0.754904 0.008623 S\n0.756999 0.754233 0.497234 S\n0.756999 0.259765 0.002766 S\n0.753719 0.245096 0.508623 S\n0.236473 0.245096 0.991377 S\n0.243001 0.245767 0.502766 S\n0.243001 0.740235 0.997234 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-S-Zr",
"density": 4.475762566121195,
"density_atomic": 0.04742406781882699,
"volume": 295.2087546239993,
"volume_molar": 12.698490528071606,
"formula_full": "Zr2 In2 Cu2 S8",
"formula_reduced": "ZrInCuS4",
"formula_anonymous": "ABCD4",
"energy": -80.22418811,
"energy_per_atom": -5.730299150714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.20018811,
"band_gap": 0.1399999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010732,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.008000Z",
"spacegroup": 74
},
{
"id": "mp-623134",
"created_at": "2022-09-04T14:43:55.743580Z",
"structure_string": "Zr1 In1 Cu2\n1.0\n0.000000 3.209440 3.209440\n3.209440 0.000000 3.209440\n3.209440 3.209440 0.000000\nZr In Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Cu"
],
"chemical_system": "Cu-In-Zr",
"density": 8.366624504598052,
"density_atomic": 0.06049816646774776,
"volume": 66.11770626358476,
"volume_molar": 9.95425334619103,
"formula_full": "Zr1 In1 Cu2",
"formula_reduced": "ZrInCu2",
"formula_anonymous": "ABC2",
"energy": -20.38238403,
"energy_per_atom": -5.0955960075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.38238403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.759000Z",
"spacegroup": 225
},
{
"id": "mp-1096737",
"created_at": "2022-09-04T14:43:54.411541Z",
"structure_string": "Zr1 In1 Co2\n1.0\n-4.632586 5.279607 7.431121\n4.632586 -5.279607 7.431121\n4.632586 5.279607 -7.431121\nZr In Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.223063 0.223063 Co\n0.000000 0.776937 0.776937 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Co"
],
"chemical_system": "Co-In-Zr",
"density": 0.7398299085910345,
"density_atomic": 0.005501999932181837,
"volume": 727.0083695573195,
"volume_molar": 109.45366837930692,
"formula_full": "Zr1 In1 Co2",
"formula_reduced": "ZrInCo2",
"formula_anonymous": "ABC2",
"energy": -15.65989366,
"energy_per_atom": -3.914973415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.65989366,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.1105046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.662000Z",
"spacegroup": 71
},
{
"id": "mp-1188066",
"created_at": "2022-09-04T14:41:53.778069Z",
"structure_string": "Zr1 In1 Co2\n1.0\n0.000000 3.138486 3.138486\n3.138486 0.000000 3.138486\n3.138486 3.138486 0.000000\nZr In Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 In\n0.750000 0.750000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Co"
],
"chemical_system": "Co-In-Zr",
"density": 8.699227971358072,
"density_atomic": 0.06469480505269001,
"volume": 61.82876657163186,
"volume_molar": 9.308538382788743,
"formula_full": "Zr1 In1 Co2",
"formula_reduced": "ZrInCo2",
"formula_anonymous": "ABC2",
"energy": -26.56898923,
"energy_per_atom": -6.6422473075,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.56898923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0159281,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.140000Z",
"spacegroup": 225
},
{
"id": "mp-610738",
"created_at": "2022-09-04T14:40:43.535928Z",
"structure_string": "Zr2 In4 Br12\n1.0\n7.544078 0.000000 0.000000\n0.000000 7.544078 0.000000\n0.000000 0.000000 10.918416\nZr In Br\n2 4 12\ndirect\n0.000000 0.000000 0.500000 Zr\n0.500000 0.500000 0.000000 Zr\n0.000000 0.500000 0.250000 In\n0.000000 0.500000 0.750000 In\n0.500000 0.000000 0.750000 In\n0.500000 0.000000 0.250000 In\n0.796497 0.713048 0.500000 Br\n0.213048 0.296497 0.000000 Br\n0.500000 0.500000 0.757271 Br\n0.286952 0.796497 0.500000 Br\n0.000000 0.000000 0.257271 Br\n0.786952 0.703503 0.000000 Br\n0.703503 0.213048 0.000000 Br\n0.296497 0.786952 0.000000 Br\n0.000000 0.000000 0.742729 Br\n0.203503 0.286952 0.500000 Br\n0.500000 0.500000 0.242729 Br\n0.713048 0.203503 0.500000 Br\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"In",
"Br"
],
"chemical_system": "Br-In-Zr",
"density": 4.27711817712151,
"density_atomic": 0.02896680046935013,
"volume": 621.4010421705311,
"volume_molar": 20.789803024231308,
"formula_full": "Zr2 In4 Br12",
"formula_reduced": "Zr(InBr3)2",
"formula_anonymous": "AB2C6",
"energy": -73.80482069,
"energy_per_atom": -4.100267816111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.39682069,
"band_gap": 2.1831,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010114,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:09.696000Z",
"spacegroup": 128
},
{
"id": "mp-581707",
"created_at": "2022-09-04T14:46:09.701918Z",
"structure_string": "Zr1 In1 Au2\n1.0\n0.000000 3.419058 3.419058\n3.419058 0.000000 3.419058\n3.419058 3.419058 0.000000\nZr In Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 In\n0.750000 0.750000 0.750000 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Au"
],
"chemical_system": "Au-In-Zr",
"density": 12.463297211709419,
"density_atomic": 0.05003922690447703,
"volume": 79.9372861542375,
"volume_molar": 12.034839729830432,
"formula_full": "Zr1 In1 Au2",
"formula_reduced": "ZrInAu2",
"formula_anonymous": "ABC2",
"energy": -19.64333632,
"energy_per_atom": -4.91083408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.64333632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.06e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.561000Z",
"spacegroup": 225
}
]
}