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{
"count": 55712,
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{
"id": "jvasp-96962",
"created_at": "2022-09-04T14:36:41.606163Z",
"updated_at": "2022-09-04T14:36:41.606193Z",
"structure_string": "Na2 Np2 C2 O10\n1.0\n4.382254 0.000001 0.000027\n0.000002 4.893038 -0.000000\n0.000052 0.000000 10.391503\nNa Np C O\n2 2 2 10\ndirect\n0.785137 0.500000 0.245259 Na\n0.214868 0.000000 0.745260 Na\n0.273846 0.500001 0.502761 Np\n0.726149 -0.000001 0.002763 Np\n0.342899 0.499999 0.999023 C\n0.657101 -0.000000 0.499023 C\n0.214665 0.265496 0.989187 O\n0.785332 0.234504 0.489188 O\n0.744162 -0.000000 0.181386 O\n0.255823 0.500000 0.681382 O\n0.284239 0.500000 0.322836 O\n0.362025 -0.000000 0.520360 O\n0.785331 0.765497 0.489188 O\n0.637977 0.500000 0.020362 O\n0.715765 -0.000000 0.822835 O\n0.214665 0.734504 0.989187 O\n",
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"density_atomic": 0.07180678469231033,
"volume": 222.82017038584118,
"volume_molar": 8.386590188941993,
"formula_full": "Na2 Np2 C2 O10",
"formula_reduced": "NaNpCO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 31
},
{
"id": "jvasp-32739",
"created_at": "2022-09-04T14:36:47.077679Z",
"updated_at": "2022-09-04T14:36:47.077710Z",
"structure_string": "Al2 P2 N2 Cl10\n1.0\n6.603655 -0.026753 1.600435\n2.147412 7.207062 3.709463\n-0.095316 0.038686 8.657904\nAl P N Cl\n2 2 2 10\ndirect\n0.906023 0.570499 0.624408 Al\n0.093975 0.429502 0.375592 Al\n0.284371 0.204009 0.741093 P\n0.715627 0.795992 0.258907 P\n0.127755 0.362875 0.609849 N\n0.872243 0.637125 0.390151 N\n0.585714 0.170735 0.645687 Cl\n0.741820 0.756171 0.043400 Cl\n0.987228 0.237576 0.341358 Cl\n0.753810 0.048787 0.177331 Cl\n0.012770 0.762425 0.658642 Cl\n0.246188 0.951214 0.822668 Cl\n0.258179 0.243829 0.956599 Cl\n0.414285 0.829266 0.354313 Cl\n0.355427 0.494633 0.198919 Cl\n0.644571 0.505368 0.801080 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"P",
"N",
"Cl"
],
"chemical_system": "Al-Cl-N-P",
"density": 2.004865716559449,
"density_atomic": 0.0387552986638692,
"volume": 412.84677325726517,
"volume_molar": 15.538883630419091,
"formula_full": "Al2 P2 N2 Cl10",
"formula_reduced": "AlPNCl5",
"formula_anonymous": "ABCD5",
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"spacegroup": 2
},
{
"id": "jvasp-9513",
"created_at": "2022-09-04T14:36:43.632109Z",
"updated_at": "2022-09-04T14:36:43.632118Z",
"structure_string": "V2 Zn2 Si2 O10\n1.0\n5.190193 0.016341 -0.115733\n-1.135383 5.347220 0.005815\n-1.923446 -2.439134 6.413692\nV Zn Si O\n2 2 2 10\ndirect\n0.500132 0.998408 0.500839 V\n0.500129 -0.001591 0.000839 V\n0.218947 0.328990 0.723798 Zn\n0.781325 0.667844 0.277933 Zn\n0.815413 0.648500 0.761268 Si\n0.184849 0.348313 0.240422 Si\n0.573896 0.648278 0.870467 O\n0.744305 0.775315 0.575965 O\n0.426355 0.348564 0.131205 O\n0.255952 0.221487 0.425720 O\n0.166539 0.655764 0.335969 O\n0.868322 0.186631 0.060541 O\n0.833724 0.341048 0.665744 O\n0.131935 0.810197 0.941150 O\n0.604560 0.958384 0.269036 O\n0.395684 0.038455 0.732656 O\n",
"nsites": 16,
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"elements": [
"V",
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-V-Zn",
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"density_atomic": 0.09055845569443027,
"volume": 176.68145815105885,
"volume_molar": 6.650003816673286,
"formula_full": "V2 Zn2 Si2 O10",
"formula_reduced": "VZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.3168175875,
"spacegroup": 2
},
{
"id": "jvasp-9981",
"created_at": "2022-09-04T14:37:14.190323Z",
"updated_at": "2022-09-04T14:37:14.190342Z",
"structure_string": "Na2 Ge2 Sb2 O10\n1.0\n5.459699 -0.019285 -1.412125\n-1.973141 5.090717 -1.412125\n0.007782 0.011319 7.304916\nNa Ge Sb O\n2 2 2 10\ndirect\n0.334646 0.665355 0.750000 Na\n0.665355 0.334647 0.250000 Na\n0.313456 0.686545 0.250000 Ge\n0.686544 0.313457 0.750000 Ge\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.081531 0.918470 0.750000 O\n0.918470 0.081532 0.250000 O\n0.087325 0.684305 0.382427 O\n0.315696 0.912676 0.117572 O\n0.912675 0.315696 0.617573 O\n0.684305 0.087326 0.882427 O\n0.373400 0.246215 0.573783 O\n0.753786 0.626601 0.926217 O\n0.626601 0.753787 0.426217 O\n0.246215 0.373400 0.073782 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Ge",
"Sb",
"O"
],
"chemical_system": "Ge-Na-O-Sb",
"density": 4.866965277880091,
"density_atomic": 0.0788456058311302,
"volume": 202.92823970772005,
"volume_molar": 7.637890148118196,
"formula_full": "Na2 Ge2 Sb2 O10",
"formula_reduced": "NaGeSbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 15
},
{
"id": "jvasp-9520",
"created_at": "2022-09-04T14:37:11.090801Z",
"updated_at": "2022-09-04T14:37:11.090811Z",
"structure_string": "Mg2 Ni2 P2 O10\n1.0\n5.260443 -0.144592 0.410557\n-1.417056 5.128393 -0.070905\n-1.082326 -1.968729 5.941767\nMg Ni P O\n2 2 2 10\ndirect\n0.886534 0.725582 0.258560 Mg\n0.114655 0.277053 0.727687 Mg\n0.500593 0.001336 0.493147 Ni\n0.500577 0.001326 -0.006853 Ni\n0.237754 0.354866 0.238955 P\n0.763432 0.647812 0.747326 P\n0.523496 0.371403 0.179812 O\n0.180618 0.154418 0.385872 O\n0.477697 0.631255 0.806490 O\n0.820536 0.848220 0.600380 O\n0.775730 0.362936 0.604069 O\n-0.026854 0.734057 0.955056 O\n0.225464 0.639729 0.382256 O\n0.028068 0.268712 0.031223 O\n0.385335 0.076534 0.757532 O\n0.615849 0.926128 0.228761 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Ni",
"P",
"O"
],
"chemical_system": "Mg-Ni-O-P",
"density": 3.9824576989712215,
"density_atomic": 0.09891436595364943,
"volume": 161.75607906638643,
"volume_molar": 6.088236730771678,
"formula_full": "Mg2 Ni2 P2 O10",
"formula_reduced": "MgNiPO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 1.95615930625,
"spacegroup": 2
},
{
"id": "jvasp-9509",
"created_at": "2022-09-04T14:37:17.962236Z",
"updated_at": "2022-09-04T14:37:17.962262Z",
"structure_string": "Mg2 Fe2 Si2 O10\n1.0\n5.015743 -0.288344 0.107276\n-1.486464 5.163625 -0.059771\n-1.448185 -2.234944 6.155539\nMg Fe Si O\n2 2 2 10\ndirect\n0.363851 0.215928 0.779175 Mg\n0.644651 0.773924 0.249921 Mg\n0.004249 0.494920 0.514557 Fe\n0.004253 0.494923 0.014557 Fe\n0.700083 0.817515 0.757848 Si\n0.308417 0.172333 0.271262 Si\n0.703064 0.632164 0.920914 O\n0.990778 0.850864 0.668321 O\n0.305433 0.357681 0.108195 O\n0.017717 0.138981 0.360787 O\n0.597804 0.291359 0.487150 O\n0.304802 0.865653 0.134503 O\n0.410694 0.698486 0.541964 O\n0.703694 0.124192 0.894609 O\n0.898485 0.549451 0.263918 O\n0.110013 0.440393 0.765195 O\n",
"nsites": 16,
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"elements": [
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"O"
],
"chemical_system": "Fe-Mg-O-Si",
"density": 3.9754172278775357,
"density_atomic": 0.10174872940339567,
"volume": 157.25012089896455,
"volume_molar": 5.918639766128639,
"formula_full": "Mg2 Fe2 Si2 O10",
"formula_reduced": "MgFeSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.29657758125,
"spacegroup": 2
},
{
"id": "jvasp-58333",
"created_at": "2022-09-04T14:37:37.904865Z",
"updated_at": "2022-09-04T14:37:37.904889Z",
"structure_string": "Ca3 B3 P3 O15\n1.0\n3.322661 -5.755018 -0.000000\n3.322661 5.755018 0.000000\n-0.000000 -0.000000 6.756096\nCa B P O\n3 3 3 15\ndirect\n-0.000000 0.600738 0.166667 Ca\n0.600738 -0.000000 0.833334 Ca\n0.399262 0.399262 0.500000 Ca\n0.897221 0.897221 0.500000 B\n-0.000000 0.102778 0.166667 B\n0.102778 -0.000000 0.833334 B\n-0.000000 0.579843 0.666667 P\n0.579843 -0.000000 0.333333 P\n0.420157 0.420157 0.000000 P\n0.604404 0.468315 0.153877 O\n0.192598 0.351335 0.126086 O\n0.648665 0.841263 0.459419 O\n0.158737 0.807402 0.792753 O\n0.841263 0.648665 0.540582 O\n0.807402 0.158737 0.207247 O\n0.047636 -0.000000 0.333333 O\n0.136088 0.531685 0.512789 O\n0.395595 0.863912 0.179456 O\n0.468315 0.604404 0.846123 O\n0.531685 0.136088 0.487211 O\n0.952364 0.952364 0.000000 O\n-0.000000 0.047636 0.666667 O\n0.351335 0.192598 0.873915 O\n0.863912 0.395595 0.820545 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "B-Ca-O-P",
"density": 3.120690664336288,
"density_atomic": 0.09288652459798169,
"volume": 258.3797822544594,
"volume_molar": 6.483330909477104,
"formula_full": "Ca3 B3 P3 O15",
"formula_reduced": "CaBPO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 152
},
{
"id": "jvasp-10005",
"created_at": "2022-09-04T14:37:07.107691Z",
"updated_at": "2022-09-04T14:37:07.107735Z",
"structure_string": "Ca2 Si2 Sn2 O10\n1.0\n5.462041 0.016370 -1.319012\n-1.970658 5.094181 -1.319012\n-0.018214 -0.026661 7.205002\nCa Si Sn O\n2 2 2 10\ndirect\n0.838090 0.161910 0.250000 Ca\n0.161910 0.838090 0.750000 Ca\n0.818513 0.181488 0.750000 Si\n0.181487 0.818512 0.250000 Si\n0.500000 0.500000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.399235 0.825128 0.129264 O\n0.174871 0.600764 0.370736 O\n0.600765 0.174872 0.870736 O\n0.825129 0.399236 0.629264 O\n0.759878 0.893358 0.584872 O\n0.106643 0.240122 0.915128 O\n0.589841 0.410159 0.250000 O\n0.410159 0.589842 0.750000 O\n0.893358 0.759878 0.084872 O\n0.240122 0.106642 0.415128 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.424287456341313,
"density_atomic": 0.07986999487465936,
"volume": 200.3255418396975,
"volume_molar": 7.5399288173870485,
"formula_full": "Ca2 Si2 Sn2 O10",
"formula_reduced": "CaSiSnO5",
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"spacegroup": 15
},
{
"id": "jvasp-9528",
"created_at": "2022-09-04T14:37:19.917149Z",
"updated_at": "2022-09-04T14:37:19.917172Z",
"structure_string": "Mg2 V2 S2 F10\n1.0\n5.483254 0.071706 -0.020366\n-1.001423 6.048677 0.140537\n-1.598826 -2.124742 6.795691\nMg V S F\n2 2 2 10\ndirect\n0.390946 0.589800 0.681264 Mg\n0.632302 0.464970 0.236575 Mg\n0.513202 0.954169 0.446009 V\n0.960614 0.370855 0.933435 V\n0.922459 0.069744 0.716088 S\n0.102274 0.006675 0.336458 S\n0.271905 0.346194 0.091048 F\n0.574571 0.640702 0.480817 F\n0.972170 0.634048 0.216633 F\n0.181591 0.317476 0.462960 F\n0.629016 0.235337 0.402690 F\n0.747757 0.229586 0.064278 F\n0.392562 0.907615 0.669802 F\n0.148869 0.589072 0.838170 F\n0.528241 0.789244 0.204300 F\n0.661742 0.487519 0.833226 F\n",
"nsites": 16,
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"elements": [
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],
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"density_atomic": 0.07040464391696982,
"volume": 227.25773627758488,
"volume_molar": 8.553612979141091,
"formula_full": "Mg2 V2 S2 F10",
"formula_reduced": "MgVSF5",
"formula_anonymous": "ABCD5",
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"spacegroup": 1
},
{
"id": "jvasp-9792",
"created_at": "2022-09-04T14:37:15.507391Z",
"updated_at": "2022-09-04T14:37:15.507416Z",
"structure_string": "Ca2 Ti2 Si2 O10\n1.0\n5.324764 0.003569 -1.330239\n-1.900160 4.974185 -1.330239\n-0.000728 -0.001058 7.082264\nCa Ti Si O\n2 2 2 10\ndirect\n0.170308 0.829690 0.749999 Ca\n0.829690 0.170309 0.249999 Ca\n0.499999 0.499999 0.499999 Ti\n0.500000 0.500000 -0.000000 Ti\n0.181120 0.818879 0.249999 Si\n0.818879 0.181120 0.749999 Si\n0.184971 0.609541 0.382913 O\n0.390458 0.815028 0.117086 O\n0.815027 0.390458 0.617086 O\n0.609541 0.184971 0.882913 O\n0.879585 0.750559 0.087968 O\n0.249440 0.120414 0.412030 O\n0.429227 0.570772 0.749999 O\n0.570772 0.429227 0.249999 O\n0.750559 0.879585 0.587968 O\n0.120414 0.249440 0.912030 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.4699656828899017,
"density_atomic": 0.08528036844607594,
"volume": 187.61645020468035,
"volume_molar": 7.0615792001507245,
"formula_full": "Ca2 Ti2 Si2 O10",
"formula_reduced": "CaTiSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2968218566666665,
"spacegroup": 15
},
{
"id": "jvasp-55545",
"created_at": "2022-09-04T14:37:11.676338Z",
"updated_at": "2022-09-04T14:37:11.676367Z",
"structure_string": "B3 P3 Pb3 O15\n1.0\n3.474778 -6.018493 0.000000\n3.474778 6.018493 -0.000000\n0.000000 0.000000 6.912984\nB P Pb O\n3 3 3 15\ndirect\n0.098541 0.098541 0.000000 B\n0.000000 0.901459 0.666667 B\n0.901459 0.000000 0.333333 B\n0.597444 0.597444 0.500000 P\n0.000000 0.402557 0.166667 P\n0.402557 0.000000 0.833333 P\n0.608978 0.608978 0.000000 Pb\n0.000000 0.391022 0.666667 Pb\n0.391022 0.000000 0.333333 Pb\n0.446531 0.862875 0.978221 O\n0.148209 0.334095 0.040144 O\n0.665905 0.814114 0.373477 O\n0.185887 0.851791 0.706810 O\n0.814114 0.665905 0.626523 O\n0.851791 0.185887 0.293190 O\n0.583657 0.137125 0.688446 O\n0.043285 0.043285 0.500000 O\n0.000000 0.956715 0.166667 O\n0.956715 0.000000 0.833333 O\n0.137125 0.583657 0.311554 O\n0.553470 0.416343 0.355112 O\n0.862875 0.446531 0.021779 O\n0.334095 0.148209 0.959855 O\n0.416343 0.553470 0.644888 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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],
"chemical_system": "B-O-P-Pb",
"density": 5.668025614345205,
"density_atomic": 0.08300435351834043,
"volume": 289.1414604499874,
"volume_molar": 7.255210726590821,
"formula_full": "B3 P3 Pb3 O15",
"formula_reduced": "BPPbO5",
"formula_anonymous": "ABCD5",
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"spacegroup": 152
},
{
"id": "jvasp-9526",
"created_at": "2022-09-04T14:37:18.819137Z",
"updated_at": "2022-09-04T14:37:18.819164Z",
"structure_string": "Zn2 Cr2 S2 F10\n1.0\n5.970665 -1.105257 0.080465\n0.614326 6.799544 1.162688\n1.889676 2.109252 6.592397\nZn Cr S F\n2 2 2 10\ndirect\n0.527563 0.347278 0.859624 Zn\n0.127411 -0.012986 0.475416 Zn\n0.043869 0.479792 0.454361 Cr\n0.029557 0.462118 -0.030769 Cr\n0.341154 0.045320 0.843124 S\n0.461595 0.144291 0.532629 S\n0.115158 0.192619 0.160724 F\n-0.073368 0.172191 0.555780 F\n0.955129 0.729019 0.772441 F\n0.187004 0.781215 0.359007 F\n0.339679 0.444040 0.344439 F\n0.706463 0.312541 0.065522 F\n0.749018 0.529373 0.560714 F\n0.358873 0.582249 0.855790 F\n0.982112 0.563906 0.178894 F\n0.080800 0.376260 0.745185 F\n",
"nsites": 16,
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"elements": [
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"S",
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],
"chemical_system": "Cr-F-S-Zn",
"density": 3.1949540350925094,
"density_atomic": 0.06296423590706764,
"volume": 254.11250957790193,
"volume_molar": 9.564383134718586,
"formula_full": "Zn2 Cr2 S2 F10",
"formula_reduced": "ZnCrSF5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 0.3693286515625,
"spacegroup": 1
}
]
}