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=-is_theoretical&page=158",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=156",
"results": [
{
"id": "mp-1332956",
"created_at": "2022-09-04T14:41:09.596375Z",
"structure_string": "K4 W4 O10\n1.0\n5.822959 0.000000 0.000000\n-0.038555 5.832368 0.000000\n-2.875125 -2.922318 7.992598\nK W O\n4 4 10\ndirect\n0.133755 0.638262 0.756803 K\n0.874687 0.397652 0.244447 K\n0.619072 0.141886 0.756293 K\n0.387908 0.892846 0.243971 K\n0.999121 0.018121 0.999620 W\n0.498613 0.516688 0.001372 W\n0.269423 0.260036 0.499942 W\n0.777648 0.777468 0.500347 W\n0.743605 0.761470 0.009104 O\n0.239722 0.788615 0.989403 O\n0.758791 0.247604 0.010855 O\n0.255379 0.272872 0.990824 O\n0.099381 0.148054 0.738849 O\n0.894465 0.889254 0.261036 O\n0.659958 0.644411 0.739108 O\n0.335550 0.389612 0.261106 O\n0.475324 0.515370 0.501067 O\n0.477603 0.012979 0.495856 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"W",
"O"
],
"chemical_system": "K-O-W",
"density": 6.434041254797296,
"density_atomic": 0.0663125737722596,
"volume": 271.44173383796334,
"volume_molar": 9.081446273948169,
"formula_full": "K4 W4 O10",
"formula_reduced": "K2W2O5",
"formula_anonymous": "A2B2C5",
"energy": -101.32726165,
"energy_per_atom": -5.629292313888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.70526165,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1269469,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.145000Z",
"spacegroup": 1
},
{
"id": "mp-1206497",
"created_at": "2022-09-04T14:41:05.754432Z",
"structure_string": "Cs3 Co1 F6\n1.0\n0.000000 4.784096 4.784096\n4.784096 0.000000 4.784096\n4.784096 4.784096 0.000000\nCs Co F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Co\n0.796582 0.203418 0.203418 F\n0.203418 0.796582 0.796582 F\n0.203418 0.796582 0.203418 F\n0.796582 0.203418 0.796582 F\n0.203418 0.203418 0.796582 F\n0.796582 0.796582 0.203418 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cs",
"Co",
"F"
],
"chemical_system": "Co-Cs-F",
"density": 4.33453018829187,
"density_atomic": 0.045663620995484266,
"volume": 218.99270758639383,
"volume_molar": 13.188049104987833,
"formula_full": "Cs3 Co1 F6",
"formula_reduced": "Cs3CoF6",
"formula_anonymous": "AB3C6",
"energy": -47.951423180000006,
"energy_per_atom": -4.795142318000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.54142318,
"band_gap": 2.912,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006542,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.628000Z",
"spacegroup": 225
},
{
"id": "mp-1222382",
"created_at": "2022-09-04T14:41:09.638712Z",
"structure_string": "Li1 Cr4 In1 S8\n1.0\n6.378997 -3.569433 0.000000\n6.378997 3.569433 0.000000\n4.381684 0.000000 5.850923\nLi Cr In S\n1 4 1 8\ndirect\n0.374374 0.374374 0.374374 Li\n0.488139 0.003885 0.003885 Cr\n0.003885 0.003885 0.488139 Cr\n0.003885 0.488139 0.003885 Cr\n0.627277 0.627277 0.627277 Cr\n0.003306 0.003306 0.003306 In\n0.230550 0.744833 0.744833 S\n0.744833 0.744833 0.230550 S\n0.744833 0.230550 0.744833 S\n0.759132 0.759132 0.759132 S\n0.774703 0.254114 0.254114 S\n0.254114 0.254114 0.774703 S\n0.254114 0.774703 0.254114 S\n0.236855 0.236855 0.236855 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Cr",
"In",
"S"
],
"chemical_system": "Cr-In-Li-S",
"density": 3.6537251034902956,
"density_atomic": 0.05254386617147713,
"volume": 266.4440403816297,
"volume_molar": 11.461167970294987,
"formula_full": "Li1 Cr4 In1 S8",
"formula_reduced": "LiCr4InS8",
"formula_anonymous": "ABC4D8",
"energy": -89.99420205,
"energy_per_atom": -6.428157289285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.97020205,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.736000Z",
"spacegroup": 160
},
{
"id": "mp-1021677",
"created_at": "2022-09-04T14:41:09.638715Z",
"structure_string": "Mg12 Ti2 Sn2\n1.0\n5.006928 0.000000 0.000000\n0.000000 6.396889 0.000000\n0.000000 0.000000 10.879302\nMg Ti Sn\n12 2 2\ndirect\n0.000000 0.253901 0.084176 Mg\n0.000000 0.746099 0.084176 Mg\n0.000000 0.500000 0.833239 Mg\n0.500000 0.253534 0.918838 Mg\n0.500000 0.746466 0.918838 Mg\n0.500000 0.500000 0.665213 Mg\n0.000000 0.753901 0.584176 Mg\n0.000000 0.246099 0.584176 Mg\n0.000000 0.000000 0.333239 Mg\n0.500000 0.753534 0.418838 Mg\n0.500000 0.246466 0.418838 Mg\n0.500000 0.000000 0.165213 Mg\n0.500000 0.500000 0.168951 Ti\n0.500000 0.000000 0.668951 Ti\n0.000000 0.500000 0.326569 Sn\n0.000000 0.000000 0.826569 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Sn"
],
"chemical_system": "Mg-Sn-Ti",
"density": 2.977547208628468,
"density_atomic": 0.04591755861066458,
"volume": 348.45058152294536,
"volume_molar": 13.115115311468951,
"formula_full": "Mg12 Ti2 Sn2",
"formula_reduced": "Mg6TiSn",
"formula_anonymous": "ABC6",
"energy": -42.74905812,
"energy_per_atom": -2.6718161325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.74905812,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5054723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.963000Z",
"spacegroup": 38
},
{
"id": "mp-1216472",
"created_at": "2022-09-04T14:41:05.765812Z",
"structure_string": "V4 N3\n1.0\n9.203352 -1.465418 0.000000\n9.203352 1.465418 0.000000\n8.970018 0.000000 2.527431\nV N\n4 3\ndirect\n0.378655 0.378655 0.378655 V\n0.621345 0.621345 0.621345 V\n0.876247 0.876247 0.876247 V\n0.123753 0.123753 0.123753 V\n0.754775 0.754775 0.754775 N\n0.000000 0.000000 0.000000 N\n0.245225 0.245225 0.245225 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"V",
"N"
],
"chemical_system": "N-V",
"density": 5.9867284250265795,
"density_atomic": 0.10267889394845195,
"volume": 68.1736989055825,
"volume_molar": 5.865023013418225,
"formula_full": "V4 N3",
"formula_reduced": "V4N3",
"formula_anonymous": "A3B4",
"energy": -68.84746433,
"energy_per_atom": -9.835352047142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.76446433,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0104816,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.659000Z",
"spacegroup": 166
},
{
"id": "mp-1227796",
"created_at": "2022-09-04T14:41:05.767934Z",
"structure_string": "Ce4 Y16 Si16\n1.0\n7.385999 0.000000 0.000000\n0.000000 7.648387 0.000000\n0.000000 0.000000 14.578820\nCe Y Si\n4 16 16\ndirect\n0.221252 0.818687 0.651591 Ce\n0.721252 0.681313 0.348409 Ce\n0.278748 0.181313 0.151591 Ce\n0.778748 0.318687 0.848409 Ce\n0.896471 0.986997 0.500019 Y\n0.396471 0.513003 0.499981 Y\n0.603529 0.013003 0.000019 Y\n0.103529 0.486997 0.999981 Y\n0.935500 0.822302 0.127966 Y\n0.435500 0.677698 0.872034 Y\n0.564500 0.177698 0.627966 Y\n0.064500 0.322302 0.372034 Y\n0.566084 0.179114 0.371955 Y\n0.066084 0.320886 0.628045 Y\n0.933916 0.820886 0.871955 Y\n0.433916 0.679114 0.128045 Y\n0.278610 0.181774 0.849851 Y\n0.778610 0.318226 0.150149 Y\n0.221390 0.818226 0.349851 Y\n0.721390 0.681774 0.650149 Y\n0.104317 0.528750 0.209619 Si\n0.604317 0.971250 0.790381 Si\n0.395683 0.471250 0.709619 Si\n0.895683 0.028750 0.290381 Si\n0.392831 0.473970 0.290773 Si\n0.892831 0.026030 0.709227 Si\n0.107169 0.526030 0.790773 Si\n0.607169 0.973970 0.209227 Si\n0.013216 0.625318 0.500683 Si\n0.513216 0.874682 0.499317 Si\n0.486784 0.374682 0.000683 Si\n0.986784 0.125318 0.999317 Si\n0.269352 0.107203 0.499982 Si\n0.769352 0.392797 0.500018 Si\n0.230648 0.892797 0.999982 Si\n0.730648 0.607203 0.000018 Si\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ce",
"Y",
"Si"
],
"chemical_system": "Ce-Si-Y",
"density": 4.904213123371833,
"density_atomic": 0.04371203523174961,
"volume": 823.5718105811719,
"volume_molar": 13.776848248021874,
"formula_full": "Ce4 Y16 Si16",
"formula_reduced": "Ce(YSi)4",
"formula_anonymous": "AB4C4",
"energy": -239.50532714,
"energy_per_atom": -6.652925753888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -240.64132714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.274773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.987000Z",
"spacegroup": 19
},
{
"id": "mp-1207261",
"created_at": "2022-09-04T14:41:09.665930Z",
"structure_string": "Tm2 Br2 F1\n1.0\n3.860883 0.000000 0.000000\n0.000000 3.860883 0.000000\n0.000000 0.000000 13.198992\nTm Br F\n2 2 1\ndirect\n0.500000 0.500000 0.163898 Tm\n0.500000 0.500000 0.836102 Tm\n0.500000 0.500000 0.645972 Br\n0.500000 0.500000 0.354028 Br\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Br",
"F"
],
"chemical_system": "Br-F-Tm",
"density": 4.360661237774373,
"density_atomic": 0.025413001186108678,
"volume": 196.74968585501477,
"volume_molar": 23.6970860540936,
"formula_full": "Tm2 Br2 F1",
"formula_reduced": "Tm2Br2F",
"formula_anonymous": "AB2C2",
"energy": -21.57104249,
"energy_per_atom": -4.314208498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.10904249,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1160371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.188000Z",
"spacegroup": 123
},
{
"id": "mp-1212386",
"created_at": "2022-09-04T14:41:09.676865Z",
"structure_string": "Ho3 P6 Pd20\n1.0\n0.000000 6.135056 6.135056\n6.135056 0.000000 6.135056\n6.135056 6.135056 0.000000\nHo P Pd\n3 6 20\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.000000 0.000000 0.000000 Ho\n0.735862 0.264138 0.264138 P\n0.264138 0.735862 0.735862 P\n0.264138 0.735862 0.264138 P\n0.735862 0.264138 0.735862 P\n0.264138 0.264138 0.735862 P\n0.735862 0.735862 0.264138 P\n0.383849 0.383849 0.383849 Pd\n0.616151 0.616151 0.616151 Pd\n0.383849 0.383849 0.848454 Pd\n0.383849 0.848454 0.383849 Pd\n0.616151 0.616151 0.151546 Pd\n0.616151 0.151546 0.616151 Pd\n0.848454 0.383849 0.383849 Pd\n0.151546 0.616151 0.616151 Pd\n0.344817 0.000000 0.000000 Pd\n0.655183 0.000000 0.000000 Pd\n0.000000 0.344817 0.655183 Pd\n0.000000 0.655183 0.344817 Pd\n0.000000 0.344817 0.000000 Pd\n0.655183 0.000000 0.344817 Pd\n0.000000 0.655183 0.000000 Pd\n0.344817 0.000000 0.655183 Pd\n0.000000 0.000000 0.344817 Pd\n0.000000 0.000000 0.655183 Pd\n0.655183 0.344817 0.000000 Pd\n0.344817 0.655183 0.000000 Pd\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ho",
"P",
"Pd"
],
"chemical_system": "Ho-P-Pd",
"density": 10.099978086166942,
"density_atomic": 0.06279317003668038,
"volume": 461.8336673090364,
"volume_molar": 9.590439145662163,
"formula_full": "Ho3 P6 Pd20",
"formula_reduced": "Ho3(P3Pd10)2",
"formula_anonymous": "A3B6C20",
"energy": -171.07314779,
"energy_per_atom": -5.899074061724138,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.07314779,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.745000Z",
"spacegroup": 225
},
{
"id": "mp-1184778",
"created_at": "2022-09-04T14:41:04.478728Z",
"structure_string": "Ho1 Er1 O3\n1.0\n4.246395 0.000000 0.000000\n0.000000 4.246395 0.000000\n0.000000 0.000000 4.246395\nHo Er O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ho",
"Er",
"O"
],
"chemical_system": "Er-Ho-O",
"density": 8.244907443646573,
"density_atomic": 0.06529934648561073,
"volume": 76.57044471496806,
"volume_molar": 9.222359922586715,
"formula_full": "Ho1 Er1 O3",
"formula_reduced": "HoErO3",
"formula_anonymous": "ABC3",
"energy": -39.67650815,
"energy_per_atom": -7.93530163,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.61550815,
"band_gap": 1.4474,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006509,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.140000Z",
"spacegroup": 221
},
{
"id": "mp-32536",
"created_at": "2022-09-04T14:41:09.682538Z",
"structure_string": "W1 Br4 O1\n1.0\n-5.025360 5.025360 1.922051\n5.025360 -5.025360 1.922051\n5.025360 5.025360 -1.922051\nW Br O\n1 4 1\ndirect\n0.000000 0.000000 0.000000 W\n0.939126 0.241122 0.180248 Br\n0.060874 0.758878 0.819752 Br\n0.241122 0.060874 0.301996 Br\n0.758878 0.939126 0.698004 Br\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"W",
"Br",
"O"
],
"chemical_system": "Br-O-W",
"density": 4.442609153916414,
"density_atomic": 0.030902384700355136,
"volume": 194.15977304596325,
"volume_molar": 19.48762472020741,
"formula_full": "W1 Br4 O1",
"formula_reduced": "WBr4O",
"formula_anonymous": "ABC4",
"energy": -30.84376714,
"energy_per_atom": -5.140627856666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.58276714,
"band_gap": 1.458,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.57e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.199000Z",
"spacegroup": 87
},
{
"id": "mp-1184978",
"created_at": "2022-09-04T14:41:05.778418Z",
"structure_string": "Li2 In1 Hg1\n1.0\n0.000000 3.343327 3.343327\n3.343327 0.000000 3.343327\n3.343327 3.343327 0.000000\nLi In Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 Li\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Hg"
],
"chemical_system": "Hg-In-Li",
"density": 7.315787414714773,
"density_atomic": 0.05351720562042445,
"volume": 74.7423179821898,
"volume_molar": 11.252718990435655,
"formula_full": "Li2 In1 Hg1",
"formula_reduced": "Li2InHg",
"formula_anonymous": "ABC2",
"energy": -8.15912156,
"energy_per_atom": -2.03978039,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.15912156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.953000Z",
"spacegroup": 225
},
{
"id": "mp-1206242",
"created_at": "2022-09-04T14:41:05.782994Z",
"structure_string": "Y1 In5 Rh1\n1.0\n4.678741 0.000000 0.000000\n0.000000 4.678741 0.000000\n0.000000 0.000000 7.503331\nY In Rh\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.301011 In\n0.000000 0.500000 0.698989 In\n0.500000 0.000000 0.301011 In\n0.500000 0.000000 0.698989 In\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"In",
"Rh"
],
"chemical_system": "In-Rh-Y",
"density": 7.7430099586191705,
"density_atomic": 0.04261729937556632,
"volume": 164.25254773448395,
"volume_molar": 14.130742323509734,
"formula_full": "Y1 In5 Rh1",
"formula_reduced": "YIn5Rh",
"formula_anonymous": "ABC5",
"energy": -30.45539946,
"energy_per_atom": -4.3507713514285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.45539946,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.338000Z",
"spacegroup": 123
}
]
}