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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4445",
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"results": [
{
"id": "jvasp-14558",
"created_at": "2022-09-04T14:36:08.648920Z",
"updated_at": "2022-09-04T14:36:08.648937Z",
"structure_string": "Ca2 Sn2\n1.0\n4.459483 -0.000000 -1.706984\n-0.000000 4.373258 -0.000000\n-0.172512 0.000000 6.227984\nCa Sn\n2 2\ndirect\n0.133072 0.750000 0.266146 Ca\n0.866927 0.250000 0.733854 Ca\n0.413365 0.750000 0.826730 Sn\n0.586635 0.250000 0.173270 Sn\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.03328527683873778,
"volume": 120.17325315872856,
"volume_molar": 18.09250615272445,
"formula_full": "Ca2 Sn2",
"formula_reduced": "CaSn",
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{
"id": "jvasp-12448",
"created_at": "2022-09-04T14:37:20.121611Z",
"updated_at": "2022-09-04T14:37:20.121636Z",
"structure_string": "Ca8 Sn4\n1.0\n5.095738 0.000000 0.000000\n0.000000 7.703334 0.000000\n0.000000 0.000000 9.496933\nCa Sn\n8 4\ndirect\n0.750000 0.334518 0.072296 Ca\n0.250000 0.665481 0.927704 Ca\n0.750000 0.834518 0.427704 Ca\n0.250000 0.165481 0.572296 Ca\n0.750000 0.479295 0.691277 Ca\n0.250000 0.520705 0.308723 Ca\n0.750000 0.979294 0.808723 Ca\n0.250000 0.020705 0.191277 Ca\n0.750000 0.753025 0.104977 Sn\n0.250000 0.246975 0.895023 Sn\n0.750000 0.253025 0.395023 Sn\n0.250000 0.746974 0.604977 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"density": 3.5432388922379,
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"volume": 372.7942394647926,
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"formula_full": "Ca8 Sn4",
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{
"id": "jvasp-106934",
"created_at": "2022-09-04T14:36:58.354861Z",
"updated_at": "2022-09-04T14:36:58.354895Z",
"structure_string": "Ca3 Sm1\n1.0\n5.151240 -0.000000 2.974070\n1.717080 4.856636 2.974070\n-0.000000 -0.000000 5.948140\nCa Sm\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750001 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sm"
],
"chemical_system": "Ca-Sm",
"density": 3.019525759864063,
"density_atomic": 0.02688013653019852,
"volume": 148.8087679728187,
"volume_molar": 22.403683676362355,
"formula_full": "Ca3 Sm1",
"formula_reduced": "Ca3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07569003375,
"spacegroup": 225
},
{
"id": "jvasp-102464",
"created_at": "2022-09-04T14:36:51.090042Z",
"updated_at": "2022-09-04T14:36:51.090095Z",
"structure_string": "Ca2 Sm6\n1.0\n7.338415 0.000000 0.000000\n-3.669208 6.355254 0.000000\n-0.000000 -0.000000 5.841364\nCa Sm\n2 6\ndirect\n0.333333 0.666666 0.749999 Ca\n0.666667 0.333333 0.250000 Ca\n0.164032 0.328065 0.250000 Sm\n0.671935 0.835967 0.250000 Sm\n0.164032 0.835967 0.250000 Sm\n0.835968 0.671935 0.749999 Sm\n0.328065 0.164032 0.749999 Sm\n0.835968 0.164032 0.749999 Sm\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ca-Sm",
"density": 5.987573597870166,
"density_atomic": 0.02936571207610965,
"volume": 272.4265626273836,
"volume_molar": 20.507388836313247,
"formula_full": "Ca2 Sm6",
"formula_reduced": "CaSm3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0557992612499998,
"spacegroup": 194
},
{
"id": "jvasp-19868",
"created_at": "2022-09-04T14:36:57.110905Z",
"updated_at": "2022-09-04T14:36:57.110933Z",
"structure_string": "Ca2 Si4\n1.0\n4.110363 0.000000 -1.242332\n-0.375487 4.093178 -1.242332\n0.005318 0.005828 7.438509\nCa Si\n2 4\ndirect\n0.624999 0.875001 0.750001 Ca\n0.375000 0.125000 0.250000 Ca\n0.210126 0.460127 0.920254 Si\n0.960125 0.710127 0.420254 Si\n0.039874 0.289874 0.579747 Si\n0.789873 0.539874 0.079747 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.552948852081049,
"density_atomic": 0.047920136351418195,
"volume": 125.20832486784921,
"volume_molar": 12.567035944633274,
"formula_full": "Ca2 Si4",
"formula_reduced": "CaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5960592066666663,
"spacegroup": 141
},
{
"id": "jvasp-9127",
"created_at": "2022-09-04T14:36:51.992718Z",
"updated_at": "2022-09-04T14:36:51.992735Z",
"structure_string": "Ca8 Si4\n1.0\n4.814795 0.000000 0.000000\n-0.000000 7.533483 0.000000\n0.000000 0.000000 8.988871\nCa Si\n8 4\ndirect\n0.750001 0.343888 0.074816 Ca\n0.250000 0.656112 0.925183 Ca\n0.750001 0.843888 0.425183 Ca\n0.250000 0.156112 0.574816 Ca\n0.250000 0.019505 0.180392 Ca\n0.750001 0.980495 0.819608 Ca\n0.250000 0.519505 0.319608 Ca\n0.750001 0.480495 0.680392 Ca\n0.250000 0.752023 0.604119 Si\n0.750001 0.247977 0.395881 Si\n0.250000 0.252023 0.895881 Si\n0.750001 0.747977 0.104119 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Si"
],
"chemical_system": "Ca-Si",
"density": 2.2050788793455234,
"density_atomic": 0.03680463242724141,
"volume": 326.0459134790339,
"volume_molar": 16.36245320994603,
"formula_full": "Ca8 Si4",
"formula_reduced": "Ca2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.484929813333333,
"spacegroup": 62
},
{
"id": "jvasp-20336",
"created_at": "2022-09-04T14:38:27.546264Z",
"updated_at": "2022-09-04T14:38:27.546287Z",
"structure_string": "Ca10 Si6\n1.0\n6.924209 0.000000 -3.173356\n-1.454344 6.769741 -3.173355\n-0.014001 -0.017325 9.110382\nCa Si\n10 6\ndirect\n0.179395 0.037980 0.717377 Ca\n0.037984 0.537980 0.717377 Ca\n0.679394 0.179392 0.717379 Ca\n0.962017 0.462019 0.282622 Ca\n0.537986 0.679391 0.717379 Ca\n0.820606 0.962019 0.282622 Ca\n0.462015 0.320608 0.282620 Ca\n0.320607 0.820608 0.282620 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Ca\n0.613417 0.113418 -0.000000 Si\n0.886582 0.613418 -0.000001 Si\n0.113419 0.386582 -0.000000 Si\n0.386583 0.886582 -0.000000 Si\n0.750000 0.750000 0.499999 Si\n0.250001 0.250000 0.500000 Si\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.217589516288905,
"density_atomic": 0.03753325256304132,
"volume": 426.2886615841833,
"volume_molar": 16.044814527824727,
"formula_full": "Ca10 Si6",
"formula_reduced": "Ca5Si3",
"formula_anonymous": "A3B5",
"energy_above_hull": 0.9804659874999996,
"spacegroup": 140
},
{
"id": "jvasp-19760",
"created_at": "2022-09-04T14:38:16.231138Z",
"updated_at": "2022-09-04T14:38:16.231156Z",
"structure_string": "Ca2 Si2\n1.0\n3.908106 0.000000 -0.000000\n0.000000 4.185835 -1.745501\n-0.000000 -0.032394 5.814029\nCa Si\n2 2\ndirect\n0.250000 0.861161 0.722318 Ca\n0.750001 0.138841 0.277683 Ca\n0.250000 0.570555 0.141108 Si\n0.750001 0.429447 0.858893 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.38569850810394,
"density_atomic": 0.042154561405118154,
"volume": 94.88890090822636,
"volume_molar": 14.285857945775776,
"formula_full": "Ca2 Si2",
"formula_reduced": "CaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.5951745099999997,
"spacegroup": 63
},
{
"id": "jvasp-13745",
"created_at": "2022-09-04T14:36:31.018295Z",
"updated_at": "2022-09-04T14:36:31.018333Z",
"structure_string": "Ca2 Si2\n1.0\n3.908106 -0.000000 0.000000\n0.000000 4.185835 -1.745501\n-0.000000 -0.032394 5.814029\nCa Si\n2 2\ndirect\n0.250000 0.861161 0.722318 Ca\n0.750001 0.138841 0.277683 Ca\n0.250000 0.570555 0.141108 Si\n0.750001 0.429447 0.858893 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Si"
],
"chemical_system": "Ca-Si",
"density": 2.38569850810394,
"density_atomic": 0.042154561405118154,
"volume": 94.88890090822636,
"volume_molar": 14.285857945775776,
"formula_full": "Ca2 Si2",
"formula_reduced": "CaSi",
"formula_anonymous": "AB",
"energy_above_hull": 0.5951745099999997,
"spacegroup": 63
},
{
"id": "jvasp-16048",
"created_at": "2022-09-04T14:36:21.600361Z",
"updated_at": "2022-09-04T14:36:21.600383Z",
"structure_string": "Ca1 Si2\n1.0\n1.954205 -3.384783 -0.000000\n1.954205 3.384783 -0.000000\n-0.000000 0.000000 4.912805\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.589538 Si\n0.666666 0.333332 0.410461 Si\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Ca-Si",
"density": 2.4591490381644014,
"density_atomic": 0.04615946657969153,
"volume": 64.992085530726,
"volume_molar": 13.046382911733046,
"formula_full": "Ca1 Si2",
"formula_reduced": "CaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5880092066666665,
"spacegroup": 164
},
{
"id": "jvasp-85882",
"created_at": "2022-09-04T14:36:09.356919Z",
"updated_at": "2022-09-04T14:36:09.356943Z",
"structure_string": "Ca2 Si4\n1.0\n-1.946055 -3.370666 -0.000000\n1.946055 -3.370666 -0.000000\n0.000000 -2.247111 10.098171\nCa Si\n2 4\ndirect\n0.080268 0.080268 0.759194 Ca\n0.919733 0.919733 0.240806 Ca\n0.182995 0.182995 0.451013 Si\n0.817006 0.817006 0.548987 Si\n0.347510 0.347510 0.957472 Si\n0.652491 0.652491 0.042528 Si\n",
"nsites": 6,
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"elements": [
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"density": 2.4128580465869387,
"density_atomic": 0.045290561342351515,
"volume": 132.47793408092204,
"volume_molar": 13.296679443821898,
"formula_full": "Ca2 Si4",
"formula_reduced": "CaSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.581845873333333,
"spacegroup": 166
},
{
"id": "jvasp-16869",
"created_at": "2022-09-04T14:38:33.150751Z",
"updated_at": "2022-09-04T14:38:33.150767Z",
"structure_string": "Ca1 Si2\n1.0\n2.057943 -3.564463 -0.000000\n2.057943 3.564463 0.000000\n0.000000 0.000000 4.246217\nCa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333332 0.666666 0.500000 Si\n0.666666 0.333332 0.500000 Si\n",
"nsites": 3,
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"elements": [
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"volume": 62.29592417360857,
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"formula_full": "Ca1 Si2",
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"spacegroup": 191
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}