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=chemical_system&page=12178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=12176",
"results": [
{
"id": "mp-1216646",
"created_at": "2022-09-04T14:44:11.542908Z",
"structure_string": "Ti1 V1\n1.0\n1.565733 -2.203831 0.000000\n1.565733 2.203831 0.000000\n0.000000 0.000000 4.412961\nTi V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 V\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"V"
],
"chemical_system": "Ti-V",
"density": 5.387500532093173,
"density_atomic": 0.06567104360465353,
"volume": 30.454822859831598,
"volume_molar": 9.170161504138584,
"formula_full": "Ti1 V1",
"formula_reduced": "TiV",
"formula_anonymous": "AB",
"energy": -16.74218372,
"energy_per_atom": -8.37109186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.74218372,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0553406,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.847000Z",
"spacegroup": 65
},
{
"id": "mp-1096710",
"created_at": "2022-09-04T14:46:04.894959Z",
"structure_string": "Ti1 V2 W1\n1.0\n-4.433691 5.140180 7.422094\n4.433691 -5.140180 7.422094\n4.433691 5.140180 -7.422094\nTi V W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.241734 0.241734 V\n0.000000 0.758266 0.758266 V\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"W"
],
"chemical_system": "Ti-V-W",
"density": 0.8187134580235682,
"density_atomic": 0.005911937034117476,
"volume": 676.5971925810799,
"volume_molar": 101.86408828860228,
"formula_full": "Ti1 V2 W1",
"formula_reduced": "TiV2W",
"formula_anonymous": "ABC2",
"energy": -21.75453261,
"energy_per_atom": -5.4386331525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.75453261,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7982756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:19.022000Z",
"spacegroup": 71
},
{
"id": "mp-631373",
"created_at": "2022-09-04T14:39:47.134937Z",
"structure_string": "Ti1 V1 W1\n1.0\n0.000000 3.006956 3.006956\n3.006956 0.000000 3.006956\n3.006956 3.006956 0.000000\nTi V W\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ti\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"V",
"W"
],
"chemical_system": "Ti-V-W",
"density": 8.631466059267707,
"density_atomic": 0.055170896281461726,
"volume": 54.37649561999315,
"volume_molar": 10.915430355304075,
"formula_full": "Ti1 V1 W1",
"formula_reduced": "TiVW",
"formula_anonymous": "ABC",
"energy": -26.58300282,
"energy_per_atom": -8.86100094,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.58300282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6862317,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.051000Z",
"spacegroup": 216
},
{
"id": "mp-1097130",
"created_at": "2022-09-04T14:45:36.373826Z",
"structure_string": "Ti1 V1 W2\n1.0\n-4.461584 5.219706 7.789487\n4.461584 -5.219706 7.789487\n4.461584 5.219706 -7.789487\nTi V W\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 V\n0.000000 0.258127 0.258127 W\n0.000000 0.741873 0.741873 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"W"
],
"chemical_system": "Ti-V-W",
"density": 1.0675447155173685,
"density_atomic": 0.0055125942411540195,
"volume": 725.6111777896119,
"volume_molar": 109.24331624196073,
"formula_full": "Ti1 V1 W2",
"formula_reduced": "TiVW2",
"formula_anonymous": "ABC2",
"energy": -24.29770648,
"energy_per_atom": -6.07442662,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.29770648,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.612000Z",
"spacegroup": 71
},
{
"id": "mp-1216621",
"created_at": "2022-09-04T14:43:13.190981Z",
"structure_string": "Ti1 W1\n1.0\n1.589892 -2.291387 0.000000\n1.589892 2.291387 0.000000\n0.000000 0.000000 4.454217\nTi W\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"W"
],
"chemical_system": "Ti-W",
"density": 11.855525692968548,
"density_atomic": 0.06162579855725202,
"volume": 32.45394050580856,
"volume_molar": 9.772109897132237,
"formula_full": "Ti1 W1",
"formula_reduced": "TiW",
"formula_anonymous": "AB",
"energy": -20.89370429,
"energy_per_atom": -10.446852145,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.89370429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0404653,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.843000Z",
"spacegroup": 65
},
{
"id": "mp-1096563",
"created_at": "2022-09-04T14:39:25.922820Z",
"structure_string": "Ti2 Zn1 W1\n1.0\n-5.022320 5.453602 7.693741\n5.022320 -5.453602 7.693741\n5.022320 5.453602 -7.693741\nTi Zn W\n2 1 1\ndirect\n0.000000 0.280763 0.280763 Ti\n0.000000 0.719237 0.719237 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"W"
],
"chemical_system": "Ti-W-Zn",
"density": 0.6796125929567969,
"density_atomic": 0.004745419569623747,
"volume": 842.9180900261576,
"volume_molar": 126.90428468219683,
"formula_full": "Ti2 Zn1 W1",
"formula_reduced": "Ti2ZnW",
"formula_anonymous": "ABC2",
"energy": -16.55343766,
"energy_per_atom": -4.138359415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.55343766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.7248803,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.338000Z",
"spacegroup": 71
},
{
"id": "mp-1215175",
"created_at": "2022-09-04T14:39:46.852899Z",
"structure_string": "Zr1 Ti1 W4\n1.0\n0.000000 3.791313 3.791313\n3.791313 0.000000 3.791313\n3.791313 3.791313 0.000000\nZr Ti W\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Ti\n0.624944 0.624944 0.125167 W\n0.624944 0.125167 0.624944 W\n0.125167 0.624944 0.624944 W\n0.624944 0.624944 0.624944 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"W"
],
"chemical_system": "Ti-W-Zr",
"density": 13.322497900504619,
"density_atomic": 0.05504936765538769,
"volume": 108.99307758738222,
"volume_molar": 10.93952758494695,
"formula_full": "Zr1 Ti1 W4",
"formula_reduced": "ZrTiW4",
"formula_anonymous": "ABC4",
"energy": -68.56535127,
"energy_per_atom": -11.427558544999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.56535127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.36e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.542000Z",
"spacegroup": 216
},
{
"id": "mp-999484",
"created_at": "2022-09-04T14:43:24.011949Z",
"structure_string": "Y1 Ti1\n1.0\n3.658092 0.000000 0.000000\n0.000000 3.658092 0.000000\n0.000000 0.000000 3.658092\nY Ti\n1 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Ti\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Y",
"Ti"
],
"chemical_system": "Ti-Y",
"density": 4.639648964268992,
"density_atomic": 0.040856967080048066,
"volume": 48.95125955094871,
"volume_molar": 14.739568769755378,
"formula_full": "Y1 Ti1",
"formula_reduced": "YTi",
"formula_anonymous": "AB",
"energy": -13.63301247,
"energy_per_atom": -6.816506235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.63301247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3310634,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.528000Z",
"spacegroup": 221
},
{
"id": "mp-979952",
"created_at": "2022-09-04T14:40:27.030705Z",
"structure_string": "Yb3 Ti1\n1.0\n-2.522160 2.522160 5.068901\n2.522160 -2.522160 5.068901\n2.522160 2.522160 -5.068901\nYb Ti\n3 1\ndirect\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ti"
],
"chemical_system": "Ti-Yb",
"density": 7.2996683813964705,
"density_atomic": 0.031012796067128468,
"volume": 128.97901857484362,
"volume_molar": 19.418245123609072,
"formula_full": "Yb3 Ti1",
"formula_reduced": "Yb3Ti",
"formula_anonymous": "AB3",
"energy": -10.95623149,
"energy_per_atom": -2.7390578725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.95623149,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.806416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.950000Z",
"spacegroup": 139
},
{
"id": "mp-979963",
"created_at": "2022-09-04T14:40:12.064454Z",
"structure_string": "Yb3 Ti1\n1.0\n5.062260 0.000000 0.000000\n0.000000 5.062260 0.000000\n0.000000 0.000000 5.062260\nYb Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Yb",
"Ti"
],
"chemical_system": "Ti-Yb",
"density": 7.257530305366131,
"density_atomic": 0.030833771556656106,
"volume": 129.72788595291118,
"volume_molar": 19.530989742641445,
"formula_full": "Yb3 Ti1",
"formula_reduced": "Yb3Ti",
"formula_anonymous": "AB3",
"energy": -10.90740853,
"energy_per_atom": -2.7268521325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.90740853,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6250448,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.769000Z",
"spacegroup": 221
},
{
"id": "mp-1187474",
"created_at": "2022-09-04T14:43:18.423479Z",
"structure_string": "Ti3 Zn1\n1.0\n-1.982220 1.982220 4.150722\n1.982220 -1.982220 4.150722\n1.982220 1.982220 -4.150722\nTi Zn\n3 1\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.750000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 5.320210512909021,
"density_atomic": 0.061315834826356504,
"volume": 65.23600324985883,
"volume_molar": 9.821509854761683,
"formula_full": "Ti3 Zn1",
"formula_reduced": "Ti3Zn",
"formula_anonymous": "AB3",
"energy": -25.37153973,
"energy_per_atom": -6.3428849325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.37153973,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.723000Z",
"spacegroup": 139
},
{
"id": "mp-2327",
"created_at": "2022-09-04T14:46:35.278747Z",
"structure_string": "Ti2 Zn32\n1.0\n3.853634 -5.759427 0.000000\n3.853634 5.759427 0.000000\n0.000000 0.000000 11.673307\nTi Zn\n2 32\ndirect\n0.047104 0.952896 0.250000 Ti\n0.952896 0.047104 0.750000 Ti\n0.353377 0.982912 0.430752 Zn\n0.646623 0.017089 0.930752 Zn\n0.982911 0.353377 0.569248 Zn\n0.017088 0.646623 0.069248 Zn\n0.646623 0.017089 0.569248 Zn\n0.353377 0.982912 0.069248 Zn\n0.017088 0.646623 0.430752 Zn\n0.982911 0.353377 0.930752 Zn\n0.652727 0.758654 0.364968 Zn\n0.347273 0.241346 0.864968 Zn\n0.758654 0.652727 0.635032 Zn\n0.241346 0.347273 0.135032 Zn\n0.347273 0.241346 0.635032 Zn\n0.652727 0.758654 0.135032 Zn\n0.241346 0.347273 0.364968 Zn\n0.758654 0.652727 0.864968 Zn\n0.477212 0.192067 0.250000 Zn\n0.522788 0.807933 0.750000 Zn\n0.192067 0.477212 0.750000 Zn\n0.807933 0.522788 0.250000 Zn\n0.175974 0.824026 0.859131 Zn\n0.824026 0.175974 0.359131 Zn\n0.824026 0.175974 0.140869 Zn\n0.175974 0.824026 0.640869 Zn\n0.620674 0.379326 0.469238 Zn\n0.379326 0.620674 0.969238 Zn\n0.379326 0.620674 0.530762 Zn\n0.620674 0.379326 0.030762 Zn\n0.288759 0.711241 0.250000 Zn\n0.711241 0.288759 0.750000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 34,
"nelements": 2,
"elements": [
"Ti",
"Zn"
],
"chemical_system": "Ti-Zn",
"density": 7.014325195498221,
"density_atomic": 0.06561532299393392,
"volume": 518.1716472407409,
"volume_molar": 9.177948816249433,
"formula_full": "Ti2 Zn32",
"formula_reduced": "TiZn16",
"formula_anonymous": "AB16",
"energy": -58.28922282,
"energy_per_atom": -1.7143889064705882,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.28922282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010675,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.792000Z",
"spacegroup": 63
}
]
}