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=10122",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10120",
"results": [
{
"id": "mp-1187686",
"created_at": "2022-09-04T14:41:19.472206Z",
"structure_string": "Tm2 Lu6\n1.0\n3.524385 -6.104414 0.000000\n3.524385 6.104414 0.000000\n0.000000 0.000000 5.506153\nTm Lu\n2 6\ndirect\n0.333333 0.666667 0.750000 Tm\n0.666667 0.333333 0.250000 Tm\n0.166468 0.332936 0.250000 Lu\n0.667064 0.833532 0.250000 Lu\n0.166468 0.833532 0.250000 Lu\n0.833532 0.667064 0.750000 Lu\n0.332936 0.166468 0.750000 Lu\n0.833532 0.166468 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Lu"
],
"chemical_system": "Lu-Tm",
"density": 9.725900757473717,
"density_atomic": 0.03376637135468413,
"volume": 236.9221115282861,
"volume_molar": 17.834728809746974,
"formula_full": "Tm2 Lu6",
"formula_reduced": "TmLu3",
"formula_anonymous": "AB3",
"energy": -36.06433065,
"energy_per_atom": -4.50804133125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.06433065,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.820848,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.570000Z",
"spacegroup": 194
},
{
"id": "mp-980198",
"created_at": "2022-09-04T14:46:07.401518Z",
"structure_string": "Tm1 Lu1 Zn2\n1.0\n0.000000 3.497236 3.497236\n3.497236 0.000000 3.497236\n3.497236 3.497236 0.000000\nTm Lu Zn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Lu",
"Zn"
],
"chemical_system": "Lu-Tm-Zn",
"density": 9.214697592853293,
"density_atomic": 0.04675791905212568,
"volume": 85.54700639138376,
"volume_molar": 12.879402852138316,
"formula_full": "Tm1 Lu1 Zn2",
"formula_reduced": "TmLuZn2",
"formula_anonymous": "ABC2",
"energy": -12.95084086,
"energy_per_atom": -3.237710215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95084086,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0034093,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.975000Z",
"spacegroup": 225
},
{
"id": "mp-973165",
"created_at": "2022-09-04T14:47:46.582439Z",
"structure_string": "Lu6 U2\n1.0\n3.445568 -5.967898 0.000000\n3.445568 5.967898 0.000000\n0.000000 0.000000 5.534162\nLu U\n6 2\ndirect\n0.168945 0.337890 0.250000 Lu\n0.662110 0.831055 0.250000 Lu\n0.168945 0.831055 0.250000 Lu\n0.831055 0.662110 0.750000 Lu\n0.337890 0.168945 0.750000 Lu\n0.831055 0.168945 0.750000 Lu\n0.333333 0.666667 0.750000 U\n0.666667 0.333333 0.250000 U\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Lu",
"U"
],
"chemical_system": "Lu-U",
"density": 11.132678151664305,
"density_atomic": 0.03515004668686671,
"volume": 227.59571477295023,
"volume_molar": 17.13266788419397,
"formula_full": "Lu6 U2",
"formula_reduced": "Lu3U",
"formula_anonymous": "AB3",
"energy": -46.60850584,
"energy_per_atom": -5.82606323,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.60850584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5966087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.674000Z",
"spacegroup": 194
},
{
"id": "mp-865596",
"created_at": "2022-09-04T14:46:40.489888Z",
"structure_string": "Y2 Lu6\n1.0\n3.559227 -6.164762 0.000000\n3.559227 6.164762 0.000000\n0.000000 0.000000 5.565330\nY Lu\n2 6\ndirect\n0.333333 0.666667 0.750000 Y\n0.666667 0.333333 0.250000 Y\n0.165228 0.330455 0.250000 Lu\n0.669545 0.834772 0.250000 Lu\n0.165228 0.834772 0.250000 Lu\n0.834772 0.669545 0.750000 Lu\n0.330455 0.165228 0.750000 Lu\n0.834772 0.165228 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Lu"
],
"chemical_system": "Lu-Y",
"density": 8.346759596096112,
"density_atomic": 0.032756468061535746,
"volume": 244.22657488503754,
"volume_molar": 18.384585141129712,
"formula_full": "Y2 Lu6",
"formula_reduced": "YLu3",
"formula_anonymous": "AB3",
"energy": -40.03416649,
"energy_per_atom": -5.00427081125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.03416649,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0221095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.290000Z",
"spacegroup": 194
},
{
"id": "mp-1187801",
"created_at": "2022-09-04T14:45:18.701004Z",
"structure_string": "Y6 Lu2\n1.0\n3.623371 -6.275863 0.000000\n3.623371 6.275863 0.000000\n0.000000 0.000000 5.664037\nY Lu\n6 2\ndirect\n0.167802 0.335603 0.250000 Y\n0.664397 0.832198 0.250000 Y\n0.167802 0.832198 0.250000 Y\n0.832198 0.664397 0.750000 Y\n0.335603 0.167802 0.750000 Y\n0.832198 0.167802 0.750000 Y\n0.333333 0.666667 0.750000 Lu\n0.666667 0.333333 0.250000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Y",
"Lu"
],
"chemical_system": "Lu-Y",
"density": 5.694413040188175,
"density_atomic": 0.031056152528263437,
"volume": 257.59791051771134,
"volume_molar": 19.39113595774428,
"formula_full": "Y6 Lu2",
"formula_reduced": "Y3Lu",
"formula_anonymous": "AB3",
"energy": -47.80359612,
"energy_per_atom": -5.975449515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.80359612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.1379117,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.844000Z",
"spacegroup": 194
},
{
"id": "mp-1187999",
"created_at": "2022-09-04T14:45:35.490911Z",
"structure_string": "Yb6 Lu2\n1.0\n3.724874 -6.451672 0.000000\n3.724874 6.451672 0.000000\n0.000000 0.000000 6.071343\nYb Lu\n6 2\ndirect\n0.828775 0.171225 0.750000 Yb\n0.342450 0.171225 0.750000 Yb\n0.828775 0.657550 0.750000 Yb\n0.171225 0.828775 0.250000 Yb\n0.657550 0.828775 0.250000 Yb\n0.171225 0.342450 0.250000 Yb\n0.666667 0.333333 0.250000 Lu\n0.333333 0.666667 0.750000 Lu\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Lu"
],
"chemical_system": "Lu-Yb",
"density": 7.899404848586652,
"density_atomic": 0.02741519604018225,
"volume": 291.80896566540906,
"volume_molar": 21.966433328338756,
"formula_full": "Yb6 Lu2",
"formula_reduced": "Yb3Lu",
"formula_anonymous": "AB3",
"energy": -17.16221509,
"energy_per_atom": -2.14527688625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.16221509,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3894773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.638000Z",
"spacegroup": 194
},
{
"id": "mp-979431",
"created_at": "2022-09-04T14:43:53.648811Z",
"structure_string": "Y1 Lu1 Zn2\n1.0\n0.000000 3.544072 3.544072\n3.544072 0.000000 3.544072\n3.544072 3.544072 0.000000\nY Lu Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Lu",
"Zn"
],
"chemical_system": "Lu-Y-Zn",
"density": 7.3615378840720656,
"density_atomic": 0.04492854836971752,
"volume": 89.03025237058532,
"volume_molar": 13.403817791849713,
"formula_full": "Y1 Lu1 Zn2",
"formula_reduced": "YLuZn2",
"formula_anonymous": "ABC2",
"energy": -14.95335361,
"energy_per_atom": -3.7383384025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.95335361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:26.121000Z",
"spacegroup": 225
},
{
"id": "mp-30715",
"created_at": "2022-09-04T14:43:49.706338Z",
"structure_string": "Lu2 Zn17\n1.0\n5.092749 -4.459286 0.000000\n5.092749 4.459286 0.000000\n1.188133 0.000000 6.664057\nLu Zn\n2 17\ndirect\n0.665131 0.665131 0.665131 Lu\n0.334869 0.334869 0.334869 Lu\n0.352974 0.352974 0.837906 Zn\n0.837906 0.352974 0.352974 Zn\n0.100892 0.100892 0.100892 Zn\n0.899108 0.899108 0.899108 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.299555 0.700445 0.000000 Zn\n0.700445 0.000000 0.299555 Zn\n0.000000 0.299555 0.700445 Zn\n0.700445 0.299555 0.000000 Zn\n0.299555 0.000000 0.700445 Zn\n0.000000 0.700445 0.299555 Zn\n0.162094 0.647026 0.647026 Zn\n0.647026 0.647026 0.162094 Zn\n0.647026 0.162094 0.647026 Zn\n0.352974 0.837906 0.352974 Zn\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.020041278508673,
"density_atomic": 0.0627721932297589,
"volume": 302.68179304260036,
"volume_molar": 9.593644016798569,
"formula_full": "Lu2 Zn17",
"formula_reduced": "Lu2Zn17",
"formula_anonymous": "A2B17",
"energy": -34.4190201,
"energy_per_atom": -1.8115273736842104,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.4190201,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033501,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.331000Z",
"spacegroup": 166
},
{
"id": "mp-11496",
"created_at": "2022-09-04T14:43:07.422057Z",
"structure_string": "Lu1 Zn1\n1.0\n3.496958 0.000000 0.000000\n0.000000 3.496958 0.000000\n0.000000 0.000000 3.496958\nLu Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 9.334024846797478,
"density_atomic": 0.04676907137499343,
"volume": 42.763303636372044,
"volume_molar": 12.876331693042616,
"formula_full": "Lu1 Zn1",
"formula_reduced": "LuZn",
"formula_anonymous": "AB",
"energy": -6.5031384,
"energy_per_atom": -3.2515692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.5031384,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0027607,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:08.933000Z",
"spacegroup": 221
},
{
"id": "mp-1190019",
"created_at": "2022-09-04T14:48:06.218684Z",
"structure_string": "Lu4 Zn12\n1.0\n4.337761 0.000000 0.000000\n0.000000 6.606830 0.000000\n0.000000 0.000000 9.969089\nLu Zn\n4 12\ndirect\n0.250000 0.279730 0.664229 Lu\n0.250000 0.779730 0.835771 Lu\n0.750000 0.720270 0.335771 Lu\n0.750000 0.220270 0.164229 Lu\n0.250000 0.536222 0.103174 Zn\n0.250000 0.036222 0.396826 Zn\n0.750000 0.463778 0.896826 Zn\n0.750000 0.963778 0.603174 Zn\n0.250000 0.919283 0.148675 Zn\n0.250000 0.419283 0.351325 Zn\n0.750000 0.080717 0.851325 Zn\n0.750000 0.580717 0.648675 Zn\n0.250000 0.216736 0.957071 Zn\n0.250000 0.716736 0.542929 Zn\n0.750000 0.783264 0.042929 Zn\n0.750000 0.283264 0.457071 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.62970224511157,
"density_atomic": 0.05600228630302145,
"volume": 285.7026213791697,
"volume_molar": 10.753383759039659,
"formula_full": "Lu4 Zn12",
"formula_reduced": "LuZn3",
"formula_anonymous": "AB3",
"energy": -38.65023309,
"energy_per_atom": -2.415639568125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.65023309,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0764738,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:31.158000Z",
"spacegroup": 62
},
{
"id": "mp-1199967",
"created_at": "2022-09-04T14:45:24.893476Z",
"structure_string": "Lu6 Zn30\n1.0\n4.432072 -7.676574 0.000000\n4.432072 7.676574 0.000000\n0.000000 0.000000 8.954029\nLu Zn\n6 30\ndirect\n0.195367 0.804633 0.250000 Lu\n0.195367 0.390734 0.250000 Lu\n0.609266 0.804633 0.250000 Lu\n0.804633 0.195367 0.750000 Lu\n0.804633 0.609266 0.750000 Lu\n0.390734 0.195367 0.750000 Lu\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.333333 0.666667 0.486223 Zn\n0.666667 0.333333 0.513777 Zn\n0.666667 0.333333 0.986223 Zn\n0.333333 0.666667 0.013777 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.566862 0.433138 0.250000 Zn\n0.566862 0.133725 0.250000 Zn\n0.866275 0.433138 0.250000 Zn\n0.433138 0.566862 0.750000 Zn\n0.433138 0.866275 0.750000 Zn\n0.133725 0.566862 0.750000 Zn\n0.840734 0.159266 0.408817 Zn\n0.840734 0.681467 0.408817 Zn\n0.318533 0.159266 0.408817 Zn\n0.159266 0.840734 0.591183 Zn\n0.159266 0.318533 0.591183 Zn\n0.681467 0.840734 0.591183 Zn\n0.159266 0.840734 0.908817 Zn\n0.159266 0.318533 0.908817 Zn\n0.681467 0.840734 0.908817 Zn\n0.840734 0.159266 0.091183 Zn\n0.840734 0.681467 0.091183 Zn\n0.318533 0.159266 0.091183 Zn\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.209027421293115,
"density_atomic": 0.059085342960898485,
"volume": 609.2881617666853,
"volume_molar": 10.19227520433508,
"formula_full": "Lu6 Zn30",
"formula_reduced": "LuZn5",
"formula_anonymous": "AB5",
"energy": -73.77972131,
"energy_per_atom": -2.0494367030555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.77972131,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006721,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.309000Z",
"spacegroup": 194
},
{
"id": "mp-1192910",
"created_at": "2022-09-04T14:44:41.059447Z",
"structure_string": "Lu6 Zn23\n1.0\n0.000000 6.283011 6.283011\n6.283011 0.000000 6.283011\n6.283011 6.283011 0.000000\nLu Zn\n6 23\ndirect\n0.704475 0.704475 0.295525 Lu\n0.295525 0.704475 0.295525 Lu\n0.704475 0.295525 0.295525 Lu\n0.295525 0.295525 0.704475 Lu\n0.704475 0.295525 0.704475 Lu\n0.295525 0.704475 0.704475 Lu\n0.000000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.500000 0.500000 0.000000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.878310 0.878310 0.365070 Zn\n0.878310 0.365070 0.878310 Zn\n0.365070 0.878310 0.878310 Zn\n0.878310 0.878310 0.878310 Zn\n0.121690 0.121690 0.634930 Zn\n0.121690 0.634930 0.121690 Zn\n0.634930 0.121690 0.121690 Zn\n0.121690 0.121690 0.121690 Zn\n0.670874 0.670874 0.987378 Zn\n0.670874 0.987378 0.670874 Zn\n0.987378 0.670874 0.670874 Zn\n0.670874 0.670874 0.670874 Zn\n0.329126 0.329126 0.012622 Zn\n0.329126 0.012622 0.329126 Zn\n0.012622 0.329126 0.329126 Zn\n0.329126 0.329126 0.329126 Zn\n",
"nsites": 29,
"nelements": 2,
"elements": [
"Lu",
"Zn"
],
"chemical_system": "Lu-Zn",
"density": 8.550117291393157,
"density_atomic": 0.0584607714549251,
"volume": 496.0591398004355,
"volume_molar": 10.3011653971129,
"formula_full": "Lu6 Zn23",
"formula_reduced": "Lu6Zn23",
"formula_anonymous": "A6B23",
"energy": -64.58587675,
"energy_per_atom": -2.227099198275862,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.58587675,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.01727,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:02.967000Z",
"spacegroup": 225
}
]
}