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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1091",
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"results": [
{
"id": "jvasp-55793",
"created_at": "2022-09-04T14:38:00.749919Z",
"updated_at": "2022-09-04T14:38:00.749944Z",
"structure_string": "Dy4 Mn4 O12\n1.0\n5.270462 0.000000 0.000000\n-0.000000 5.661146 0.000000\n0.000000 0.000000 7.559500\nDy Mn O\n4 4 12\ndirect\n0.019318 0.925293 0.750000 Dy\n0.519318 0.574708 0.250000 Dy\n0.480682 0.425293 0.750000 Dy\n0.980682 0.074708 0.250000 Dy\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.608723 0.034809 0.750000 O\n0.108723 0.465191 0.250000 O\n0.695983 0.309024 0.054790 O\n0.195983 0.190976 0.945210 O\n0.804016 0.809024 0.445210 O\n0.195983 0.190976 0.554789 O\n0.304017 0.690977 0.945210 O\n0.804016 0.809024 0.054790 O\n0.891277 0.534809 0.750000 O\n0.695983 0.309024 0.445210 O\n0.304017 0.690977 0.554789 O\n0.391277 0.965192 0.250000 O\n",
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"spacegroup": 62
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{
"id": "jvasp-35184",
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"updated_at": "2022-09-04T14:38:00.764828Z",
"structure_string": "Zn8 Si4 O16\n1.0\n5.116912 -0.000000 0.000000\n0.000000 6.706247 0.000000\n0.000000 0.000000 10.384260\nZn Si O\n8 4 16\ndirect\n0.329452 0.000254 0.655998 Zn\n0.170548 0.499747 0.155998 Zn\n0.670548 0.500254 0.344002 Zn\n0.829452 -0.000254 0.844002 Zn\n0.670548 -0.000254 0.344002 Zn\n0.829452 0.500254 0.844002 Zn\n0.329452 0.499747 0.655998 Zn\n0.170548 0.000254 0.155998 Zn\n0.327519 0.250000 0.908737 Si\n0.172481 0.250000 0.408737 Si\n0.672481 0.750000 0.091263 Si\n0.827519 0.750000 0.591263 Si\n0.210283 0.451029 0.837497 O\n0.289717 0.048971 0.337497 O\n0.210283 0.048971 0.837497 O\n0.289717 0.451029 0.337497 O\n0.789717 0.548971 0.162503 O\n0.710283 0.951029 0.662503 O\n0.261556 0.250000 0.560890 O\n0.352336 0.750000 0.110408 O\n0.738443 0.750000 0.439110 O\n0.761556 0.750000 0.939110 O\n0.647663 0.250000 0.889592 O\n0.852336 0.250000 0.389592 O\n0.710283 0.548971 0.662503 O\n0.147663 0.750000 0.610408 O\n0.238444 0.250000 0.060890 O\n0.789717 0.951029 0.162503 O\n",
"nsites": 28,
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"O"
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"density_atomic": 0.07857691695113543,
"volume": 356.3387453520522,
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"formula_full": "Zn8 Si4 O16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-17558",
"created_at": "2022-09-04T14:38:00.943389Z",
"updated_at": "2022-09-04T14:38:00.943416Z",
"structure_string": "V4 As4\n1.0\n3.374923 0.000000 0.000000\n0.000000 5.899265 0.000000\n0.000000 0.000000 6.239250\nV As\n4 4\ndirect\n0.258657 0.005199 0.184455 V\n0.758656 0.994802 0.815545 V\n0.758656 0.494801 0.684455 V\n0.258657 0.505199 0.315545 V\n0.258643 0.197721 0.576551 As\n0.758643 0.802280 0.423449 As\n0.758643 0.302280 0.076551 As\n0.258643 0.697721 0.923449 As\n",
"nsites": 8,
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"elements": [
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"density": 6.729973452819162,
"density_atomic": 0.06440147661696893,
"volume": 124.2207542473041,
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"formula_full": "V4 As4",
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"formula_anonymous": "AB",
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"spacegroup": 62
},
{
"id": "jvasp-51029",
"created_at": "2022-09-04T14:38:01.204314Z",
"updated_at": "2022-09-04T14:38:01.204325Z",
"structure_string": "V4 H4 O8\n1.0\n2.991739 0.000000 0.000000\n0.000000 4.621391 0.000000\n0.000000 0.000000 10.022944\nV H O\n4 4 8\ndirect\n0.000000 0.303612 0.652569 V\n0.000000 0.696388 0.152570 V\n0.500000 0.196383 0.365781 V\n0.500000 0.803617 0.865780 V\n0.000000 0.655124 0.420444 H\n0.000000 0.344876 0.920444 H\n0.500000 0.844869 0.597906 H\n0.500000 0.155131 0.097907 H\n0.000000 0.950072 0.307551 O\n0.000000 0.049928 0.807551 O\n0.500000 0.549926 0.710797 O\n0.500000 0.450074 0.210798 O\n0.000000 0.452401 0.455079 O\n0.000000 0.547599 0.955078 O\n0.500000 0.047587 0.563270 O\n0.500000 0.952413 0.063271 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.023731224854307,
"density_atomic": 0.1154591249315232,
"volume": 138.57718053457725,
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"formula_full": "V4 H4 O8",
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"formula_anonymous": "ABC2",
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},
{
"id": "jvasp-45813",
"created_at": "2022-09-04T14:38:01.342836Z",
"updated_at": "2022-09-04T14:38:01.342858Z",
"structure_string": "Li4 V4 F16\n1.0\n0.000000 4.497630 0.016997\n9.853559 0.000000 0.000000\n0.000000 -4.473859 -6.168920\nLi V F\n4 4 16\ndirect\n0.770478 0.275292 0.750007 Li\n0.229522 0.775292 0.749992 Li\n0.770478 0.224708 0.250007 Li\n0.229522 0.724708 0.249992 Li\n0.500000 0.500000 -0.000000 V\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.037460 0.915736 0.250003 F\n0.962540 0.415736 0.249997 F\n0.515207 0.574236 0.250000 F\n0.484793 0.074236 0.250000 F\n0.229277 0.658823 0.493426 F\n0.257611 0.158826 0.493451 F\n0.742389 0.841175 0.506549 F\n0.037460 0.584264 0.750003 F\n0.515206 0.925764 0.750000 F\n0.484793 0.425764 0.750000 F\n0.257611 0.341175 0.993451 F\n0.962540 0.084264 0.749997 F\n0.742389 0.658826 0.006549 F\n0.229277 0.841177 0.993426 F\n0.770723 0.341177 0.506574 F\n0.770723 0.158823 0.006574 F\n",
"nsites": 24,
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"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.261505411202224,
"density_atomic": 0.08802725566983628,
"volume": 272.6428288303883,
"volume_molar": 6.841222885088269,
"formula_full": "Li4 V4 F16",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"id": "jvasp-5449",
"created_at": "2022-09-04T14:38:01.751895Z",
"updated_at": "2022-09-04T14:38:01.751930Z",
"structure_string": "Pb4 Br8\n1.0\n4.759235 0.000000 0.000000\n0.000000 8.039449 0.000000\n0.000000 0.000000 9.669496\nPb Br\n4 8\ndirect\n0.250000 0.734148 0.588852 Pb\n0.750001 0.265852 0.411148 Pb\n0.250000 0.234148 0.911148 Pb\n0.750001 0.765852 0.088852 Pb\n0.250000 0.515438 0.338355 Br\n0.750001 0.484562 0.661646 Br\n0.250000 0.015438 0.161646 Br\n0.750001 0.984562 0.838355 Br\n0.750001 0.358237 0.081505 Br\n0.250000 0.641763 0.918495 Br\n0.750001 0.858237 0.418495 Br\n0.250000 0.141763 0.581506 Br\n",
"nsites": 12,
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"elements": [
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],
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"density": 6.588967228003749,
"density_atomic": 0.032435005332672344,
"volume": 369.97064982481106,
"volume_molar": 18.56679441928068,
"formula_full": "Pb4 Br8",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-45996",
"created_at": "2022-09-04T14:38:01.931320Z",
"updated_at": "2022-09-04T14:38:01.931350Z",
"structure_string": "Pt4 O12\n1.0\n4.884893 -0.000550 -0.001734\n0.000585 4.983427 -0.002346\n0.002587 0.003201 7.132847\nPt O\n4 12\ndirect\n0.000524 0.499746 0.498690 Pt\n0.000518 0.499739 0.998692 Pt\n0.500527 0.999747 0.498692 Pt\n0.500522 -0.000263 0.998696 Pt\n0.853951 0.149609 0.577809 O\n0.147089 0.849878 0.077811 O\n0.843934 0.442995 0.248690 O\n0.647109 0.649613 0.577821 O\n0.343946 0.056505 0.748696 O\n0.647091 0.649597 0.919569 O\n0.353949 0.349876 0.419565 O\n0.157111 0.556487 0.748690 O\n0.657107 0.942971 0.248693 O\n0.353938 0.349871 0.077824 O\n0.147102 0.849881 0.419568 O\n0.853939 0.149602 0.919571 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "O-Pt",
"density": 9.298567093273888,
"density_atomic": 0.09214542228324553,
"volume": 173.63857697474813,
"volume_molar": 6.535474699425177,
"formula_full": "Pt4 O12",
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"formula_anonymous": "AB3",
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"spacegroup": 62
},
{
"id": "jvasp-40200",
"created_at": "2022-09-04T14:38:02.073834Z",
"updated_at": "2022-09-04T14:38:02.073856Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n6.998026 -0.000000 0.000000\n-0.000000 8.450825 0.000000\n0.000000 0.000000 12.699088\nCa Sn S\n8 4 16\ndirect\n0.750000 0.093316 0.345008 Ca\n0.750000 0.593316 0.154992 Ca\n0.250000 0.906684 0.654992 Ca\n0.250000 0.406684 0.845008 Ca\n0.750000 0.379717 0.573591 Ca\n0.750000 0.879717 0.926409 Ca\n0.250000 0.620284 0.426409 Ca\n0.250000 0.120284 0.073591 Ca\n0.250000 0.219248 0.467275 Sn\n0.250000 0.719248 0.032725 Sn\n0.750000 0.780753 0.532725 Sn\n0.750000 0.280753 0.967275 Sn\n0.750000 0.763831 0.344822 S\n0.750000 0.263831 0.155178 S\n0.250000 0.446614 0.079719 S\n0.250000 0.946614 0.420281 S\n0.750000 0.553387 0.920282 S\n0.750000 0.053386 0.579719 S\n0.513206 0.861607 0.109854 S\n0.986794 0.861607 0.109854 S\n0.013206 0.138394 0.890147 S\n0.486794 0.638394 0.609854 S\n0.486794 0.138394 0.890147 S\n0.013206 0.638394 0.609854 S\n0.250000 0.736170 0.844822 S\n0.513206 0.361606 0.390147 S\n0.986794 0.361606 0.390147 S\n0.250000 0.236170 0.655178 S\n",
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"elements": [
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],
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"density": 2.8931900259653984,
"density_atomic": 0.03728299894068016,
"volume": 751.0125471545339,
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"formula_full": "Ca8 Sn4 S16",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
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"spacegroup": 62
},
{
"id": "jvasp-30325",
"created_at": "2022-09-04T14:38:02.112093Z",
"updated_at": "2022-09-04T14:38:02.112103Z",
"structure_string": "Sb4 P4 O16\n1.0\n6.804726 0.000000 0.000000\n0.000000 9.415235 0.000000\n-0.000000 0.000000 5.074818\nSb P O\n4 4 16\ndirect\n0.250000 0.338574 0.679331 Sb\n0.250000 0.838573 0.820669 Sb\n0.750000 0.161426 0.179331 Sb\n0.750000 0.661426 0.320669 Sb\n0.250000 0.108487 0.203725 P\n0.250000 0.608487 0.296275 P\n0.750000 0.391513 0.703725 P\n0.750000 0.891513 0.796276 P\n0.750000 0.856874 0.494084 O\n0.750000 0.356874 0.005916 O\n0.750000 0.056149 0.810456 O\n0.750000 0.556148 0.689545 O\n0.568487 0.328175 0.564973 O\n0.568487 0.828175 0.935028 O\n0.431514 0.671824 0.435027 O\n0.250000 0.443851 0.310456 O\n0.250000 0.643126 -0.005916 O\n0.250000 0.943851 0.189544 O\n0.931514 0.328175 0.564973 O\n0.250000 0.143126 0.505916 O\n0.068487 0.671824 0.435027 O\n0.068487 0.171824 0.064973 O\n0.431514 0.171824 0.064973 O\n0.931514 0.828175 0.935028 O\n",
"nsites": 24,
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],
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"density": 4.427601955631829,
"density_atomic": 0.07381573751734334,
"volume": 325.13391868991476,
"volume_molar": 8.158342600837758,
"formula_full": "Sb4 P4 O16",
"formula_reduced": "SbPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"id": "jvasp-4285",
"created_at": "2022-09-04T14:38:02.159002Z",
"updated_at": "2022-09-04T14:38:02.159019Z",
"structure_string": "Sb8 S12\n1.0\n3.889911 0.000000 0.000000\n0.000000 11.199032 0.000000\n0.000000 0.000000 11.472339\nSb S\n8 12\ndirect\n0.750000 0.964672 0.349747 Sb\n0.250000 0.035328 0.650253 Sb\n0.250000 0.464672 0.150253 Sb\n0.750000 0.535328 0.849747 Sb\n0.250000 0.673232 0.474348 Sb\n0.750000 0.326768 0.525653 Sb\n0.750000 0.173232 0.025652 Sb\n0.250000 0.826768 0.974348 Sb\n0.750000 0.307923 0.207929 S\n0.250000 0.692076 0.792071 S\n0.750000 0.625150 0.049795 S\n0.250000 0.374849 0.950205 S\n0.250000 0.125150 0.450205 S\n0.250000 0.440665 0.624157 S\n0.750000 0.940664 0.875843 S\n0.250000 0.059335 0.124157 S\n0.750000 0.192077 0.707929 S\n0.750000 0.559335 0.375843 S\n0.750000 0.874849 0.549795 S\n0.250000 0.807923 0.292071 S\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "S-Sb",
"density": 4.514936952093696,
"density_atomic": 0.04001822977706276,
"volume": 499.7722315908985,
"volume_molar": 15.048493632898548,
"formula_full": "Sb8 S12",
"formula_reduced": "Sb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.83011044,
"spacegroup": 62
},
{
"id": "jvasp-54967",
"created_at": "2022-09-04T14:38:02.273100Z",
"updated_at": "2022-09-04T14:38:02.273122Z",
"structure_string": "Rb4 Yb4 Br12\n1.0\n7.645503 0.000000 0.000000\n-0.000000 7.963696 0.000000\n0.000000 0.000000 11.086886\nYb Rb Br\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Yb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.500000 Yb\n0.000000 0.500000 0.000000 Yb\n0.479411 0.565953 0.750000 Rb\n0.520588 0.434048 0.250000 Rb\n0.979411 0.934048 0.250000 Rb\n0.020589 0.065952 0.750000 Rb\n0.803466 0.200484 0.460041 Br\n0.696533 0.700484 0.460041 Br\n0.196533 0.799517 0.539959 Br\n0.920581 0.489042 0.750000 Br\n0.803466 0.200484 0.039959 Br\n0.420581 0.010958 0.250000 Br\n0.079419 0.510958 0.250000 Br\n0.579419 0.989043 0.750000 Br\n0.303466 0.299517 0.539959 Br\n0.303466 0.299517 0.960041 Br\n0.696533 0.700484 0.039959 Br\n0.196533 0.799517 0.960041 Br\n",
"nsites": 20,
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"elements": [
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"Rb",
"Br"
],
"chemical_system": "Br-Rb-Yb",
"density": 4.902298519891067,
"density_atomic": 0.029627818629976124,
"volume": 675.0412593576795,
"volume_molar": 20.325967413298066,
"formula_full": "Rb4 Yb4 Br12",
"formula_reduced": "RbYbBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-46771",
"created_at": "2022-09-04T14:38:02.460946Z",
"updated_at": "2022-09-04T14:38:02.460968Z",
"structure_string": "Li4 Mn8 O4 F12\n1.0\n5.176028 0.000000 0.000000\n-0.000000 6.285551 0.000000\n0.000000 0.000000 10.598281\nLi Mn O F\n4 8 4 12\ndirect\n0.520511 0.750000 0.089317 Li\n0.020511 0.250000 0.410683 Li\n0.979489 0.750000 0.589317 Li\n0.479489 0.250000 0.910683 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.507735 0.250000 0.239091 Mn\n0.007735 0.750000 0.260909 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.992266 0.250000 0.739091 Mn\n0.492265 0.750000 0.760909 Mn\n0.837362 0.250000 0.915743 O\n0.337362 0.750000 0.584256 O\n0.662639 0.250000 0.415743 O\n0.162639 0.750000 0.084257 O\n0.294806 0.250000 0.069888 F\n0.711481 0.523455 0.168243 F\n0.711481 0.976544 0.168243 F\n0.211481 0.023455 0.331757 F\n0.211481 0.476544 0.331757 F\n0.794806 0.750000 0.430112 F\n0.205194 0.250000 0.569888 F\n0.788520 0.976544 0.668243 F\n0.788520 0.523455 0.668243 F\n0.288519 0.476544 0.831757 F\n0.288519 0.023455 0.831757 F\n0.705194 0.750000 0.930112 F\n",
"nsites": 28,
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"elements": [
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"O",
"F"
],
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"density": 3.656424961301214,
"density_atomic": 0.08120497363725232,
"volume": 344.8064662280139,
"volume_molar": 7.415975266368879,
"formula_full": "Li4 Mn8 O4 F12",
"formula_reduced": "LiMn2OF3",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 1.4918741186083746,
"spacegroup": 62
}
]
}